SCHEMBL17868339

SCHEMBL17868339

COc1ccc(C(=O)c2cnc(N)nc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 5/20 0.49
HTT P42858 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
DHFR P00374 1/20 0.49
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RXFP1 Q9HBX9 2/20 0.48
MEN1 O00255 2/20 0.47
MAPK14 Q16539 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL4356372 0.80 MAPT (0.48) NPC1RAB9AKMT2AHTTMAPT
SCHEMBL17868341 0.79 MAPT (0.51) NPC1RAB9AKMT2AHTTMAPT
SCHEMBL6259753 0.79 RAB9A (0.51) NPC1RAB9AKMT2AHTTMAPT
SCHEMBL4347538 0.79 HTT (0.44) NPC1RAB9AKMT2AHTTMAPT
SCHEMBL29659630 0.77 DHFR (0.56) KMT2ADHFRALDH1A1CYP3A4CYP2C19
SCHEMBL3840933 0.77 MAPT (0.55) NPC1RAB9AKMT2AHTTMAPT
SCHEMBL6255790 0.77 RAB9A (0.51) NPC1RAB9AKMT2AHTTMAPT
SCHEMBL6260691 0.75 RAB9A (0.52) NPC1RAB9AKMT2AHTTMAPT
SCHEMBL2679986 0.75 KMT2A (0.55) NPC1RAB9AKMT2AHTTMAPT
SCHEMBL17868331 0.73 RXFP1 (0.48) NPC1RAB9AKMT2AHTTMAPT

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-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

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 NPC1 672/4885RAB9A 2829/4885KMT2A 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.