SCHEMBL4985019

SCHEMBL4985019

COc1cc(CN2CCc3[c]nc(C(N)=O)nc3C2)cc(Br)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.40
CA2 P00918 3/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.38
APOBEC3A P31941 1/20 0.38
HTT P42858 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
CYP2C9 P11712 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4983018 0.86 KMT2A (0.45) HTTKDM4EMAPTMEN1KMT2A
SCHEMBL4982516 0.84 DHFR (0.45) MEN1KMT2AGRM2
SCHEMBL4984986 0.83 GRM2 (0.43) HTTKDM4EMAPTMEN1KMT2A
SCHEMBL4986695 0.81 KDM4E (0.52) HTTKDM4EMAPTMEN1KMT2A
SCHEMBL4985321 0.80 CFTR (0.44) POLBMAPTGRM2
SCHEMBL4986763 0.80 MEN1 (0.42) TSHRKDM4EMAPTMEN1KMT2A
SCHEMBL4987158 0.79 MAPK1 (0.51) TSHRHTTKDM4EMEN1KMT2A
SCHEMBL4988442 0.79 ABCB1 (0.39) POLBMAPTHSP90AB1GRM2
SCHEMBL4985028 0.79 KDM4E (0.45) KDM4EMAPTMEN1KMT2AGRM2
SCHEMBL4992456 0.78 MEN1 (0.40) POLBHTTKDM4EMAPTMEN1

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 CA9 4085/4885CA2 1456/4885POLB 3676/4885

“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.