SCHEMBL4990759

SCHEMBL4990759

NC(=O)c1n[c]c2c(n1)CN(Cc1ccc(OC(F)F)cc1)CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
PDE2A O00408 1/20 0.36
ABCB1 P08183 1/20 0.35
ACACB O00763 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
CFTR P13569 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34

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
SCHEMBL4985321 0.87 CFTR (0.44) GRM2POLBABCB1KCNH2CFTR
SCHEMBL4987928 0.86 TNF (0.44) POLBACACBKCNH2ALDH1A1
SCHEMBL4986796 0.86 MEN1 (0.44) MEN1KMT2AABCB1ACACBALDH1A1
SCHEMBL4988549 0.86 GRM2 (0.43) GRM2MEN1KMT2AALDH1A1HTT
SCHEMBL4989374 0.85 HRH3 (0.43) MEN1KMT2AABCB1CFTROPRM1
SCHEMBL4980823 0.85 HRH3 (0.49) GRM2POLB
SCHEMBL4992359 0.84 MEN1 (0.41) GRM2MEN1KMT2APOLBACACB
SCHEMBL4989367 0.83 MEN1 (0.40) GRM2MEN1KMT2APOLBALDH1A1
SCHEMBL4992456 0.83 MEN1 (0.40) GRM2MEN1KMT2APOLBACACB
SCHEMBL4984714 0.83 KMT2A (0.44) MEN1KMT2AALDH1A1CFTROPRM1

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 GRM2 332/4885MEN1 4853/4885KMT2A 4614/4885

“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.