SCHEMBL13081990

SCHEMBL13081990

NCCNC(=O)c1ccc2nonc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.62
ADORA2A P29274 1/20 0.62
ADORA2B P29275 1/20 0.62
ADORA1 P30542 1/20 0.62
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
TERT O14746 2/20 0.54
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
MAOB P27338 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KDM4E B2RXH2 2/20 0.49
DRD3 P35462 6/20 0.47
EPHX2 P34913 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6028970 0.85 ADORA3 (0.62) ADORA3ADORA2AADORA2BADORA1HDAC3
SCHEMBL6028978 0.85 ADORA3 (0.62) ADORA3ADORA2AADORA2BADORA1HDAC3
SCHEMBL15841821 0.82 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1HDAC3
SCHEMBL2834465 0.82 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1HDAC3
SCHEMBL13753935 0.81 ADORA3 (0.65) ADORA3ADORA2AADORA2BADORA1HDAC3
SCHEMBL14387641 0.81 ADORA3 (0.58) ADORA3ADORA2AADORA2BADORA1HDAC3
SCHEMBL15850328 0.80 ADORA3 (0.56) ADORA3ADORA2AADORA2BADORA1HDAC3
SCHEMBL14027512 0.80 ADORA3 (0.76) ADORA3ADORA2AADORA2BADORA1HDAC3
SCHEMBL4021787 0.80 ADORA3 (0.68) ADORA3ADORA2AADORA2BADORA1HDAC3
SCHEMBL15298985 0.79 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11092594-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2021-08-17 US disclosed
EP-3276349-B1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2019-08-07 EP disclosed
US-20180120306-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2018-05-03 US disclosed
EP-3029461-B1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2017-12-20 EP disclosed
US-9719986-B2 Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2017-08-01 US disclosed
US-20140323336-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2014-10-30 US disclosed
US-8846320-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2014-09-30 US disclosed
US-8846320-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2014-09-30 US disclosed
EP-2444807-B1 MONO- AND DINITROPYRAZOLE HAPTEN CONJUGATES VENTANA MED SYST INC (US) 2014-06-11 EP disclosed
EP-2444806-B1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MED SYST INC (US) 2014-05-28 EP disclosed
EP-2442107-B1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MED SYST INC (US) 2014-03-12 EP disclosed
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-11-25 US disclosed
US-20100184087-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-07-22 US disclosed
US-20100184087-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-07-22 US disclosed
US-7695929-B2 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. (US) 2010-04-13 US disclosed
US-7695929-B2 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. (US) 2010-04-13 US disclosed
US-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. 2008-10-30 US disclosed
US-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. 2008-10-30 US disclosed
WO-2008063378-A9 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2008-07-31 WO disclosed
WO-2008063378-A2 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2008-05-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits HRH4, CRBN, NCDN ADORA3 1558/4885ADORA2A 2377/4885ADORA2B 1643/4885
US-20180120306-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE CRBN, AHR, RORB ADORA3 346/4885ADORA2A 833/4885ADORA2B 464/4885
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, GABBR1, SHBG ADORA3 1666/4885ADORA2A 2477/4885ADORA2B 1518/4885
US-11092594-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, AHR, RORB ADORA3 346/4885ADORA2A 833/4885ADORA2B 464/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.