SCHEMBL3897673

SCHEMBL3897673

N#Cc1c(-c2ccccc2)nc2ccc(O)cc2c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.54
ADORA2A P29274 7/20 0.54
ADORA2B P29275 1/20 0.53
ESRRB O95718 4/20 0.47
ESRRA P11474 4/20 0.47
GRM5 P41594 4/20 0.46
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3907064 0.80 PARP1 (0.42) ADORA1ADORA2AADORA2BESRRBESRRA
SCHEMBL16645289 0.80 RORC (0.48) ADORA1ADORA2AADORA2BESRRBESRRA
SCHEMBL3906128 0.79 DPP4 (0.43) ADORA1ADORA2AADORA2BESRRBESRRA
SCHEMBL3901308 0.78 DPP4 (0.44) ADORA1ADORA2AADORA2BESRRBESRRA
SCHEMBL3895581 0.77 DPP4 (0.45) ADORA1ADORA2AADORA2BESRRBESRRA
SCHEMBL3895920 0.77 ADORA1 (0.40) ADORA1ADORA2AADORA2BESRRBESRRA
SCHEMBL3893950 0.77 ESRRB (0.41) ADORA1ADORA2AADORA2BESRRBESRRA
SCHEMBL3893249 0.76 KDM4E (0.41) ADORA1ADORA2AADORA2BESRRBESRRA
SCHEMBL3896592 0.76 DPP4 (0.46) ADORA1ADORA2AADORA2BESRRBESRRA
SCHEMBL3903116 0.76 ESRRB (0.40) ADORA1ADORA2AADORA2BESRRBESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547710-B2 Fused heterocyclic compounds as peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-16 US disclosed
EP-1527049-B1 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP disclosed
US-20060135530-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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-20060135530-A1 Fused heterocyclic compounds NR4A3, DPP3, INSR ADORA1 3265/4885ADORA2A 4256/4885ADORA2B 3498/4885

“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.