SCHEMBL764300

SCHEMBL764300

CNc1oc(-c2ccccc2)c(-c2ccccc2)c1C(=N)NCCc1cnc(NC(=O)Nc2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.47
AURKB Q96GD4 2/20 0.45
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CDK5 Q00535 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 1/20 0.39
TP53 P04637 1/20 0.38
MAPK14 Q16539 1/20 0.37
ATG4B Q9Y4P1 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
SCHEMBL13399996 0.76 AURKA (0.63) AURKAAURKBCCNE1CDK2CDK5
SCHEMBL759855 0.74 AURKA (0.75) AURKAAURKB
SCHEMBL13632595 0.72 AURKA (0.38) AURKALMNAMEN1HTTKMT2A
SCHEMBL763184 0.70 AURKA (0.52) AURKAAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL764302 0.66 FPR2 (0.43) AURKANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL759962 0.66 AURKA (0.76) AURKAAURKB
SCHEMBL763075 0.66 AURKA (0.63) AURKAAURKB
SCHEMBL13399912 0.65 AURKA (0.52) AURKAAURKB
SCHEMBL756778 0.65 AURKA (0.74) AURKAAURKB
SCHEMBL13399829 0.65 AURKA (0.64) AURKAAURKB

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 2/4885AURKB 1/4885CCNE1 27/4885

“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.