SCHEMBL4989378

SCHEMBL4989378

Nc1ncnc2c1CCN(Cc1ccc(Oc3ccccc3)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.51
BTK Q06187 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
OPRM1 P35372 1/20 0.40
CNR2 P34972 1/20 0.40
DHFR P00374 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
FAAH O00519 1/20 0.39
REV1 Q9UBZ9 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
ADORA1 P30542 2/20 0.38
C5AR1 P21730 1/20 0.38

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
SCHEMBL4986729 0.90 ALDH1A1 (0.49) LIMK1BTKKMT2AMEN1KDM4E
SCHEMBL4982960 0.89 LIMK1 (0.61) LIMK1KMT2AMEN1DHFRKDM4E
SCHEMBL4985337 0.86 DHFR (0.52) LIMK1DHFR
SCHEMBL4986800 0.85 KDM4E (0.44) LIMK1KMT2AMEN1DHFRKDM4E
SCHEMBL4990763 0.83 LIMK1 (0.43) LIMK1KMT2AMEN1DHFR
SCHEMBL4987940 0.83 ALDH1A1 (0.47) LIMK1ALDH1A1
SCHEMBL4992362 0.83 LIMK1 (0.48) LIMK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL4986186 0.82 KMT2A (0.47) LIMK1KMT2AMEN1DHFR
SCHEMBL4988556 0.82 LIMK1 (0.47) LIMK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL4992461 0.82 LIMK1 (0.47) LIMK1KMT2AMEN1DHFRKDM4E

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 1960/4885BTK 1536/4885KMT2A 4614/4885

“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.