SCHEMBL4987166

SCHEMBL4987166

COc1ccc(CN2CCc3c(N)ncnc3C2)cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
REV1 Q9UBZ9 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CSF1R P07333 1/20 0.45
LIMK1 P53667 1/20 0.44
CHRNA7 P36544 2/20 0.43

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
SCHEMBL4985292 0.96 NPC1 (0.57) MAPK1HSD17B10KDM4ELMNATSHR
SCHEMBL4983022 0.90 KDM4E (0.46) MAPK1KDM4EALDH1A1HTTMEN1
SCHEMBL4986701 0.83 KDM4E (0.57) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL4984991 0.83 KMT2A (0.43) KDM4EALDH1A1HTTKMT2ACSF1R
SCHEMBL4982960 0.81 LIMK1 (0.61) HSD17B10KDM4EALDH1A1NPC1RAB9A
SCHEMBL4985030 0.81 SIGMAR1 (0.50) KDM4EALDH1A1MEN1KMT2ALIMK1
SCHEMBL13532653 0.79 MAPK1 (0.47) MAPK1HSD17B10KDM4ELMNATSHR
SCHEMBL14272487 0.79 NPC1 (0.46) MAPK1HSD17B10KDM4ELMNATSHR
SCHEMBL4982816 0.78 BCHE (0.46) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL4985337 0.78 DHFR (0.52) SMN1; SMN2LIMK1

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 MAPK1 546/4885HSD17B10 4009/4885KDM4E 4128/4885

“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.