SCHEMBL4988919

SCHEMBL4988919

NC(=O)c1n[c]c2c(n1)CN(Cc1ccc(C(F)(F)F)cc1F)CC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 4/20 0.38
PDE2A O00408 1/20 0.38
GRM2 Q14416 13/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL4991104 0.88 GRM2 (0.42) GRM2
SCHEMBL4988672 0.87 GRM2 (0.43) GRM2
SCHEMBL4983033 0.85 GRM2 (0.41) GRM2
SCHEMBL4985987 0.84 KDM4E (0.44) C5AR1GRM2
SCHEMBL4988135 0.81 GRM2 (0.37) C5AR1PDE2AGRM2
SCHEMBL4988635 0.80 EPHX2 (0.39)
SCHEMBL4993145 0.79 FAAH (0.47) C5AR1GRM2
SCHEMBL4990762 0.79 MTNR1B (0.47) GRM2
SCHEMBL4985212 0.79 DHFR (0.46) GRM2
SCHEMBL4988549 0.78 GRM2 (0.43) GRM2

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 C5AR1 114/4885PDE2A 1483/4885GRM2 332/4885

“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.