SCHEMBL3597566

SCHEMBL3597566

N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.70
ADORA1 P30542 12/20 0.69
ADORA3 P0DMS8 2/20 0.65
ADORA2A P29274 2/20 0.65
ADORA2B P29275 2/20 0.65
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALOX15 P16050 2/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
HSD17B10 Q99714 2/20 0.64
USP2 O75604 1/20 0.64
HTT P42858 1/20 0.64
SIRT1 Q96EB6 1/20 0.57
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
MAPK10 P53779 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL13913676 0.91 RET (0.78) RETADORA1ADORA3ADORA2AADORA2B
SCHEMBL13913979 0.89 RET (0.69) RETADORA1ADORA3ADORA2AADORA2B
SCHEMBL13914102 0.89 RET (0.71) RETADORA1ADORA3ADORA2AADORA2B
SCHEMBL13913706 0.89 RET (0.71) RETADORA1ADORA3ADORA2AADORA2B
SCHEMBL13914340 0.88 ADORA1 (0.68) RETADORA1ADORA3ADORA2AADORA2B
SCHEMBL13913779 0.88 RET (0.71) RETADORA1ADORA3ADORA2AADORA2B
SCHEMBL13913622 0.88 ADORA1 (0.74) RETADORA1ADORA3ADORA2AADORA2B
SCHEMBL13914360 0.88 ADORA1 (0.67) RETADORA1ADORA3ADORA2AADORA2B
SCHEMBL13913877 0.87 RET (0.66) RETADORA1ADORA3ADORA2AADORA2B
SCHEMBL13914341 0.87 ADORA1 (0.69) RETADORA1ADORA3ADORA2AADORA2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases BAYER HEALTHCARE AG LAW AND PATENTS,PATENTS AND LICENSING (DE) 2010-02-25 US disclosed
EP-1812430-B1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2009-04-15 EP disclosed
EP-1994031-A1 USE OF ADENOSINE A1 AND/OR DUAL A1/A2B AGONISTS FOR PRODUCTION OF MEDICAMENTS FOR TREATING DISEASES Bayer HealthCare AG (DE) 2008-11-26 EP disclosed
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
WO-2007101531-A1 USE OF ADENOSINE A1 AND/OR DUAL A1/A2B AGONISTS FOR PRODUCTION OF MEDICAMENTS FOR TREATING DISEASES BAYER HEALTHCARE AG (DE) 2007-09-13 WO disclosed
EP-1812430-A1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF Bayer HealthCare AG (DE) 2007-08-01 EP disclosed
WO-2006027142-A1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-16 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 (2 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-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases ADORA1, ADORA2B, ADORA2A RET 2721/4885ADORA1 1/4885ADORA3 4/4885
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof PAH, TNNT2, VHL RET 1962/4885ADORA1 2721/4885ADORA3 2593/4885

“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.