SCHEMBL764012

SCHEMBL764012

CNc1cc(-c2ccccc2)oc1C(=N)NCCc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.49
FPR2 P25090 1/20 0.47
CNR1 P21554 2/20 0.46
SLC9A1 P19634 1/20 0.45
EPHX1 P07099 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AURKB Q96GD4 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL763184 0.79 AURKA (0.52) AURKAFPR2CNR1EPHX1NPC1
SCHEMBL763954 0.78 CNR1 (0.46) AURKAFPR2CNR1EPHX1NPC1
SCHEMBL763384 0.72 CNR1 (0.46) AURKAFPR2CNR1EPHX1NPC1
SCHEMBL764302 0.71 FPR2 (0.43) AURKAFPR2CNR1EPHX1NPC1
SCHEMBL763116 0.71 CNR1 (0.45) AURKAFPR2CNR1EPHX1NPC1
SCHEMBL13399994 0.70 FPR2 (0.58) AURKAFPR2CNR1EPHX1NPC1
SCHEMBL763388 0.67 FPR2 (0.43) AURKAFPR2CNR1EPHX1NPC1
SCHEMBL756716 0.66 AURKA (0.72) AURKAAURKB
SCHEMBL757769 0.66 AURKA (1.00) AURKAAURKB
SCHEMBL4606056 0.65 EPHX1 (0.81) FPR2CNR1EPHX1NPC1RAB9A

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 AURKA 2/4885FPR2 3780/4885CNR1 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.