SCHEMBL4985089

SCHEMBL4985089

NC(=O)c1n[c]c2c(n1)CN(C(=O)c1ccc(F)cc1F)CC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MAPK14 Q16539 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
GRM5 P41594 3/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 5/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
DPP4 P27487 1/20 0.37
CPS1 P31327 2/20 0.36
MEN1 O00255 1/20 0.36
PDE2A O00408 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
SCHEMBL4986741 0.92 PARP1 (0.41) MAPK14GRM5P2RX7PDE2A
SCHEMBL4988635 0.88 EPHX2 (0.39)
SCHEMBL4982536 0.88 P2RX7 (0.39) MAPK14P2RX7PDE2A
SCHEMBL4986225 0.87 GRM5 (0.46) KDM4EUBE2MDCUN1D1GRM5KMT2A
SCHEMBL4982974 0.85 GRM5 (0.45) GRM5
SCHEMBL4989744 0.83 ALDH1A1 (0.51) UBE2MDCUN1D1GRM5MAPK1SMN1; SMN2
SCHEMBL4984810 0.82 KMT2A (0.43) GRM5KMT2AMEN1PDE2A
SCHEMBL4989344 0.82 LMNA (0.43) KDM4EMAPK14GRM5KMT2AHTT
SCHEMBL4988879 0.81 P2RX7 (0.48) P2RX7KMT2A
SCHEMBL4982578 0.79 HTT (0.50) P2RX7HTT

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 KDM4E 4128/4885MAPK14 655/4885UBE2M 4544/4885

“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.