SCHEMBL17868331

SCHEMBL17868331

COc1ccc(C(=O)c2ncc(N)c(N)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
CDK5 Q00535 4/20 0.46
CDK5R1 Q15078 4/20 0.46
LMNA P02545 4/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
PARP1 P09874 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
PARP4 Q9UKK3 1/20 0.45
CHRM4 P08173 1/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL17868339 0.73 NPC1 (0.55) RXFP1MEN1KMT2ANPC1LMNA
SCHEMBL6046937 0.73 BRD4 (0.48) RXFP1MEN1KMT2ANPC1CDK5
SCHEMBL7640806 0.73 KMT2A (0.44) RXFP1MEN1KMT2ANPC1CDK5
SCHEMBL9418310 0.71 RXFP1 (0.79) RXFP1MEN1KMT2ANPC1LMNA
SCHEMBL51509 0.71 RXFP1 (0.79) RXFP1MEN1KMT2ANPC1LMNA
SCHEMBL6259753 0.71 RAB9A (0.51) RXFP1MEN1KMT2ANPC1LMNA
SCHEMBL5141691 0.70 MAPK1 (0.67) RXFP1MEN1KMT2ANPC1LMNA
SCHEMBL1872764 0.70 MAPK1 (0.67) RXFP1MEN1KMT2ANPC1LMNA
SCHEMBL30298632 0.70 NPC1 (0.54) RXFP1MEN1KMT2ANPC1CDK5
SCHEMBL13638606 0.70 MEN1 (0.67) RXFP1MEN1KMT2ANPC1CDK5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676724-B2 Cyanoquinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-06-13 US disclosed
US-20160185728-A1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2016-06-30 US disclosed
CN-102933578-A Cyanoquinoline derivatives TIANJIN HEMAY BIO TECH CO LTD 2013-02-13 CN 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-20160185728-A1 CYANOQUINOLINE DERIVATIVES CBR3, CYP3A4, CDK1 RXFP1 1008/4885MEN1 1326/4885KMT2A 2873/4885

“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.