SCHEMBL3789786

SCHEMBL3789786

CCSc1cccc(-c2ccccc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.45
ATR Q13535 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
DPP4 P27487 1/20 0.37
SQOR Q9Y6N5 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
S100A4 P26447 2/20 0.36
MAPT P10636 1/20 0.36
MAP2K7 O14733 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL3792205 0.88 KIT (0.35) HTR7ATRADORA2AADORA1ALDH1A1
SCHEMBL3788519 0.85 MAP4K4 (0.42) ATRALDH1A1MAPTKDM4EMAP4K4
SCHEMBL3785373 0.83 HTR7 (0.61) HTR7ATRADORA2AADORA1ALDH1A1
SCHEMBL3787227 0.82 ALDH1A1 (0.46) HTR7ATRALDH1A1HSD17B10NPC1
SCHEMBL3788477 0.79 ALDH1A1 (0.46) HTR7ATRALDH1A1HSD17B10NPC1
SCHEMBL29634405 0.79 ALDH1A1 (0.46) HTR7ATRALDH1A1HSD17B10NPC1
SCHEMBL11811627 0.79 ALDH1A1 (0.48) HTR7ALDH1A1HSD17B10DPP4MAPT
SCHEMBL4962525 0.79 ALDH1A1 (0.48) HTR7ADORA2AALDH1A1HSD17B10DPP4
Hydrochloric Acid SCHEMBL9535077 0.78 ALDH1A1 (0.45) HTR7ATRALDH1A1HSD17B10NPC1
SCHEMBL3789854 0.76 HTR7 (0.46) HTR7ATRADORA2AADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 HTR7 1295/4885ATR 405/4885ADORA2A 2101/4885

“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.