SCHEMBL4982986

SCHEMBL4982986

COc1cc(F)c(CN2CCc3c(N)ncnc3C2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.40
DHFR P00374 3/20 0.39
KDR P35968 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GNRHR P30968 2/20 0.35
TRAP1 Q12931 2/20 0.35
HSP90B1 P14625 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
SCHEMBL4982522 0.85 DHFR (0.53) GRM2DHFRLMNATP53
SCHEMBL4990769 0.84 MTNR1B (0.45) GRM2DHFR
SCHEMBL4988449 0.81 DHFR (0.45) GRM2DHFR
SCHEMBL4985337 0.80 DHFR (0.52) DHFR
SCHEMBL4984991 0.79 KMT2A (0.43) GRM2TAAR1TP53
SCHEMBL4985030 0.79 SIGMAR1 (0.50)
SCHEMBL4986744 0.78 HSP90AB1 (0.50) DHFRTP53
SCHEMBL4985170 0.78 KDM4E (0.56) DHFRLMNA
SCHEMBL13532718 0.76 MKNK1 (0.33) GRM2LMNATP53GNRHR
SCHEMBL4983022 0.75 KDM4E (0.46) TAAR1TP53

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 332/4885DHFR 4248/4885KDR 3574/4885

“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.