SCHEMBL683962

SCHEMBL683962

CCN(CC)CCn1c(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.62
ADORA2A P29274 2/20 0.62
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOB P27338 1/20 0.49
ALDH1A1 P00352 1/20 0.49
JAK2 O60674 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
Hydrochloric Acid SCHEMBL11388923 0.99 ADORA2B (0.61) ADORA2BADORA2ATSHRLMNAHTT
SCHEMBL8318291 0.94 ADORA2B (0.58) ADORA2BADORA2ATSHRLMNAHTT
SCHEMBL683888 0.91 SMN1; SMN2 (0.51) ADORA2BADORA2ATSHRLMNANPSR1
Hydrochloric Acid SCHEMBL11381649 0.89 SMN1; SMN2 (0.50) ADORA2BADORA2ATSHRLMNANPSR1
SCHEMBL684271 0.88 TSHR (0.54) ADORA2BADORA2ATSHRLMNAHTT
Hydrochloric Acid SCHEMBL11384998 0.87 TSHR (0.53) ADORA2BADORA2ATSHRLMNAHTT
SCHEMBL683542 0.86 NCOA3 (0.54) ADORA2BADORA2ATSHRLMNAHTT
SCHEMBL7030152 0.86 ADORA2B (0.70) ADORA2BADORA2ATSHRLMNAHTT
SCHEMBL682765 0.85 MAOB (0.49) ADORA2BADORA2AMAOBALDH1A1
Hydrochloric Acid SCHEMBL11381068 0.85 NCOA3 (0.53) ADORA2BADORA2ATSHRLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4299832-A Substituted theophylline compounds FISONS LIMITED (GB) 1981-11-10 US claimed
EP-0011399-A1 N-substituted theophyllines, processes for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1980-05-28 EP claimed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US 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 (1 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ADORA2B 786/4885ADORA2A 898/4885TSHR 1873/4885

“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.