SCHEMBL764238

SCHEMBL764238

CNc1oc2c(c1C(=N)NCCc1ccc(NC(=O)Nc3ccccc3)cc1)CCN(C(=O)CCN(C)C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
NAMPT P43490 4/20 0.36
AURKA O14965 5/20 0.35
AURKB Q96GD4 1/20 0.35
FPR2 P25090 1/20 0.34
HDAC1 Q13547 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
TP53 P04637 2/20 0.33
EPHX1 P07099 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL763940 0.84 MAPK10 (0.39) HRH3NAMPTPOLBMEN1KMT2A
SCHEMBL764302 0.82 FPR2 (0.43) AURKAFPR2HDAC1EPHX1NPC1
SCHEMBL759242 0.76 AURKA (0.55) AURKAAURKB
SCHEMBL764237 0.72 PTPN1 (0.49) TP53MEN1ALOX15KMT2A
SCHEMBL763076 0.69 PTPN2 (0.40) HRH3AURKAFPR2HTR1ADRD2
SCHEMBL757525 0.68 EGFR (0.51) AURKAAURKBMEN1KMT2A
SCHEMBL763388 0.66 FPR2 (0.43) AURKAFPR2HDAC1HTR1ADRD2
SCHEMBL763384 0.64 CNR1 (0.46) AURKAFPR2HDAC1EPHX1NPC1
SCHEMBL763184 0.63 AURKA (0.52) AURKAAURKBFPR2EPHX1NPC1
SCHEMBL764304 0.63 CXCR2 (0.46) FPR2HDAC1TP53EPHX1NPC1

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 HRH3 1086/4885NAMPT 1893/4885AURKA 2/4885

“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.