SCHEMBL764304

SCHEMBL764304

CNc1sc2c(c1C(=N)NCCc1ccc(NC(=O)Nc3ccccc3)cc1)CCNC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.46
TLR2 O60603 4/20 0.41
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
FPR2 P25090 1/20 0.39
APEX1 P27695 2/20 0.38
TNIK Q9UKE5 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
EPHX1 P07099 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
CNR1 P21554 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL764237 0.78 PTPN1 (0.49) PTPN2PTPN1TP53MEN1ALDH1A1
SCHEMBL763940 0.78 MAPK10 (0.39) TLR2MEN1ALDH1A1MAPTKMT2A
SCHEMBL763076 0.76 PTPN2 (0.40) TLR2PTPN2PTPN1FPR2EPHX1
SCHEMBL763388 0.73 FPR2 (0.43) FPR2TAAR1EPHX1CNR1NPC1
SCHEMBL764302 0.72 FPR2 (0.43) FPR2TAAR1EPHX1CNR1NPC1
SCHEMBL14788105 0.71 CXCR2 (0.59) CXCR2PTPRCPTPN2PTPN1APEX1
SCHEMBL759858 0.70 PTGS2 (0.56)
SCHEMBL763384 0.69 CNR1 (0.46) FPR2EPHX1CNR1NPC1RAB9A
SCHEMBL13399994 0.68 FPR2 (0.58) FPR2TAAR1EPHX1CNR1NPC1
Trifluoroacetic Acid SCHEMBL13737805 0.66 ANO1 (0.57) CXCR2PTPRCPTPN2PTPN1APEX1

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 CXCR2 1471/4885TLR2 4877/4885PTPRC 2119/4885

“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.