SCHEMBL763388

SCHEMBL763388

CNc1[nH]c2c(c1C(=N)NCCc1ccc(NC(=O)Nc3ccccc3)cc1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.43
EPHX1 P07099 2/20 0.40
CNR1 P21554 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ROCK2 O75116 2/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
ROCK1 Q13464 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 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
SCHEMBL763384 0.80 CNR1 (0.46) FPR2EPHX1CNR1NPC1RAB9A
SCHEMBL764302 0.80 FPR2 (0.43) FPR2EPHX1CNR1NPC1RAB9A
SCHEMBL764304 0.73 CXCR2 (0.46) FPR2EPHX1CNR1NPC1RAB9A
SCHEMBL763954 0.73 CNR1 (0.46) FPR2EPHX1CNR1NPC1RAB9A
SCHEMBL763116 0.70 CNR1 (0.45) FPR2EPHX1CNR1NPC1RAB9A
SCHEMBL13399994 0.68 FPR2 (0.58) FPR2EPHX1CNR1NPC1RAB9A
SCHEMBL759224 0.68 EGFR (0.58) AURKA
SCHEMBL764012 0.67 AURKA (0.49) FPR2EPHX1CNR1NPC1RAB9A
SCHEMBL763184 0.66 AURKA (0.52) FPR2EPHX1CNR1NPC1RAB9A
SCHEMBL4606056 0.64 EPHX1 (0.81) FPR2EPHX1CNR1NPC1RAB9A

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-8138194-B2 Fused bicyclic pyrimidine compounds as aurora kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-03-20 US disclosed
US-20090275533-A1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed

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-20090275533-A1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS AURKB, AURKA, AURKC FPR2 3780/4885EPHX1 2128/4885CNR1 3160/4885

“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.