SCHEMBL1640918

SCHEMBL1640918

COc1ccc2cc(C#N)nnc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.63
HPGDS O60760 2/20 0.58
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 8/20 0.50
CLK1 P49759 4/20 0.50
HSD17B10 Q99714 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
CASP1 P29466 3/20 0.50
GAA P10253 2/20 0.50
GLA P06280 2/20 0.50
MAPK1 P28482 1/20 0.50
CASP7 P55210 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 3/20 0.47
RXFP1 Q9HBX9 3/20 0.46
NCF1 P14598 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 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
SCHEMBL906879 0.77 NQO1 (1.00) NQO1HPGDSKDM4EALDH1A1CLK1
SCHEMBL28033607 0.75 ALDH1A1 (0.53) NQO1HPGDSKDM4EALDH1A1L3MBTL1
SCHEMBL30979880 0.73 HPGDS (1.00) NQO1HPGDSKDM4EALDH1A1CLK1
SCHEMBL2201992 0.73 HPGDS (1.00) NQO1HPGDSKDM4EALDH1A1CLK1
SCHEMBL31297329 0.73 HPGDS (1.00) NQO1HPGDSKDM4EALDH1A1CLK1
SCHEMBL19355079 0.72 NQO1 (0.58) NQO1HPGDSKDM4EL3MBTL1GAA
SCHEMBL28863298 0.72 NQO1 (0.54) NQO1HPGDSKDM4EALDH1A1CLK1
SCHEMBL8524163 0.72 KDM4E (0.60) NQO1HPGDSKDM4EALDH1A1CLK1
SCHEMBL2014397 0.72 ALDH1A1 (0.47) NQO1KDM4EALDH1A1GAAGLA
SCHEMBL4602088 0.71 KDM4E (0.61) NQO1HPGDSKDM4EALDH1A1CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098283-A1 3-CINNOLINECARBOXAMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER ASTRAZENECA AB 2011-04-28 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-20110098283-A1 3-CINNOLINECARBOXAMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER CSF3R, CSF1R, KIT NQO1 3258/4885HPGDS 570/4885KDM4E 2188/4885

“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.