SCHEMBL4992444

SCHEMBL4992444

COc1ccc(C(=O)N2CCc3c(N)ncnc3C2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
MAPK1 P28482 2/20 0.47
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CPS1 P31327 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GRM5 P41594 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PDE4B Q07343 2/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL4989398 0.91 MAPK1 (0.58) NPC1MAPK1LMNAMAPTHTT
SCHEMBL4984815 0.87 GRM5 (0.48) KMT2AMEN1GRM5ABL1BCR
SCHEMBL4989547 0.83 HPGD (0.49) KMT2AGRM5CA1CA2CA7
SCHEMBL4982979 0.81 GRM5 (0.50) GRM5CA1CA2CA7CA9
SCHEMBL4985380 0.81 ALDH1A1 (0.51) GRM5CA1CA2CA7CA9
SCHEMBL4986960 0.81 KDM4E (0.46) MAPTRAB9AKDM4EKMT2AGRM5
SCHEMBL4989748 0.80 SMN1; SMN2 (0.55) HTTGRM5CA1CA2CA7
SCHEMBL4990817 0.79 PKM (0.46) MAPTHTTKDM4EKMT2AMEN1
SCHEMBL4988102 0.79 HTT (0.50) NPC1HTTKDM4ECA1CA2
SCHEMBL14272357 0.79 TSHR (0.48) NPC1MAPK1LMNAMAPTHTT

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 NPC1 2233/4885MAPK1 546/4885LMNA 1911/4885

“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.