SCHEMBL4985212

SCHEMBL4985212

NC(=O)c1n[c]c2c(n1)CN(Cc1ccc(Cl)cc1Cl)CC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
IP6K1 Q92551 1/20 0.41
COMT P21964 1/20 0.40
CYP2A13 Q16696 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM2 Q14416 5/20 0.37

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
SCHEMBL4988672 0.90 GRM2 (0.43) GRM2
SCHEMBL4992359 0.86 MEN1 (0.41) GRM2
SCHEMBL4982566 0.84 PKM (0.35) SIGMAR1KDM4E
SCHEMBL4993338 0.84 CLPP (0.42) SIGMAR1KDM4EGRM2
SCHEMBL4984837 0.82 CCR2 (0.41) SIGMAR1KDM4EGRM2
SCHEMBL4991104 0.82 GRM2 (0.42) KDM4ETDP1GRM2
SCHEMBL4984714 0.81 KMT2A (0.44) KDM4E
SCHEMBL4988879 0.80 P2RX7 (0.48) IP6K1
SCHEMBL4988135 0.80 GRM2 (0.37) GRM2
SCHEMBL4990906 0.80 GRM2 (0.39) SIGMAR1GRM2

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 DHFR 4248/4885IP6K1 957/4885COMT 3203/4885

“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.