SCHEMBL4988951

SCHEMBL4988951

N#Cc1ccc(CN2CCc3[c]nc(C(N)=O)nc3C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.40
CYP3A4 P08684 9/20 0.40
CYP2C19 P33261 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 5/20 0.39
TSHR P16473 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
GRM2 Q14416 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
COMT P21964 1/20 0.39
CYP2D6 P10635 6/20 0.39
USP2 O75604 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
FAAH O00519 1/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL4992359 0.88 MEN1 (0.41) CYP2C19CYP2C9MEN1KMT2AGRM2
SCHEMBL4988781 0.88 CLPP (0.45) GRM2FAAHJAK2JAK1
SCHEMBL4988549 0.87 GRM2 (0.43) ALDH1A1MEN1KMT2AGRM2SMN1; SMN2
SCHEMBL4989367 0.87 MEN1 (0.40) ALDH1A1MEN1KMT2AGRM2SMN1; SMN2
SCHEMBL4992456 0.87 MEN1 (0.40) ALDH1A1MEN1KMT2AGRM2FAAH
SCHEMBL4984714 0.87 KMT2A (0.44) ALDH1A1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL4985463 0.86 GRM2 (0.39) CYP3A4CYP2C19CYP2C9MEN1KMT2A
SCHEMBL4992348 0.85 DPP4 (0.44) GRM2DPP4DPP8
SCHEMBL4980850 0.84 OPRM1 (0.39) ALDH1A1MAPK1MEN1KMT2AGRM2
SCHEMBL4985321 0.84 CFTR (0.44) GRM2SMN1; SMN2

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 PRKAA2 1054/4885CYP3A4 1221/4885CYP2C19 1078/4885

“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.