SCHEMBL4990912

SCHEMBL4990912

Nc1ncnc2c1CCN(Cc1ccc(Cl)c(F)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.43
PDE2A O00408 1/20 0.40
GRM2 Q14416 7/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
RCE1 Q9Y256 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
DRD4 P21917 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
TMEM97 Q5BJF2 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
CLPP Q16740 1/20 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
SCHEMBL4984842 0.90 MEN1 (0.48) LIMK1MEN1KMT2AATMRCE1
SCHEMBL4988556 0.86 LIMK1 (0.47) LIMK1GRM2MEN1KMT2ADRD4
SCHEMBL4992362 0.84 LIMK1 (0.48) LIMK1MEN1KMT2AMKNK1DRD4
SCHEMBL4993341 0.82 MEN1 (0.51) LIMK1MEN1KMT2AATMMKNK1
SCHEMBL4992354 0.82 DPP4 (0.43) LIMK1PDE2AGRM2GPR52CLPP
SCHEMBL4988843 0.81 ALDH1A1 (0.47) LIMK1GRM2MEN1KMT2AMKNK1
SCHEMBL4984991 0.81 KMT2A (0.43) PDE2AGRM2KMT2ADRD4GPR52
SCHEMBL4992461 0.81 LIMK1 (0.47) LIMK1MEN1KMT2AMKNK1CLPP
SCHEMBL4989371 0.81 LIMK1 (0.47) LIMK1MEN1KMT2ADRD4CLPP
SCHEMBL4988680 0.81 GRM2 (0.44) PDE2AGRM2MKNK1

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 LIMK1 1960/4885PDE2A 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.