SCHEMBL4989371

SCHEMBL4989371

Cc1ccc(CN2CCc3c(N)ncnc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.47
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CLPP Q16740 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 2/20 0.39
MAPT P10636 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
SCHEMBL4992362 0.88 LIMK1 (0.48) LIMK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4992461 0.87 LIMK1 (0.47) LIMK1ALDH1A1KDM4ECLPPMEN1
SCHEMBL4988556 0.87 LIMK1 (0.47) LIMK1ALDH1A1KDM4ECLPPMEN1
SCHEMBL4982960 0.86 LIMK1 (0.61) LIMK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4980855 0.86 LIMK1 (0.45) LIMK1LMNAMEN1KMT2A
SCHEMBL4989375 0.86 HSP90AB1 (0.46) LIMK1LMNAALDH1A1KDM4EMEN1
SCHEMBL4989472 0.86 LIMK1 (0.42) LIMK1LMNAMEN1KMT2ADRD4
SCHEMBL4985337 0.86 DHFR (0.52) LIMK1CLPPDRD2DRD4DRD3
SCHEMBL4985467 0.85 LIMK1 (0.48) LIMK1CLPPMEN1KMT2ADRD2
SCHEMBL4986127 0.85 LIMK1 (0.47) LIMK1ALDH1A1KDM4ECLPPMAPT

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 1 patent. 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

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 1960/4885LMNA 1911/4885POLB 3676/4885

“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.