SCHEMBL6322695

SCHEMBL6322695

CC(C)(C)OC(=O)NCc1cccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.49
BRD4 O60885 4/20 0.47
CREBBP Q92793 2/20 0.47
HDAC1 Q13547 1/20 0.41
PARP1 P09874 1/20 0.41
GLS O94925 2/20 0.40
AKT1 P31749 1/20 0.40
NAMPT P43490 2/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MAPK10 P53779 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
BRD9 Q9H8M2 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL6321899 0.84 NAMPT (0.43) CCKBRBRD4CREBBPHDAC1AKT1
SCHEMBL6403737 0.84 NAMPT (0.43) CCKBRBRD4CREBBPHDAC1AKT1
SCHEMBL6324621 0.83 SENP5 (0.39) CCKBRSENP1
SCHEMBL6321171 0.82 BRD4 (0.47) BRD4CREBBPNAMPTMAPK10IDO1
SCHEMBL6328078 0.82 MAPK10 (0.40) BRD4CREBBPHDAC1MAPK10IDO1
SCHEMBL4499192 0.81 NAMPT (0.44) CCKBRBRD4CREBBPHDAC1AKT1
SCHEMBL4504168 0.81 NAMPT (0.44) CCKBRBRD4CREBBPHDAC1NAMPT
SCHEMBL2574498 0.81 HDAC1 (0.45) CCKBRBRD4CREBBPHDAC1NAMPT
SCHEMBL8187365 0.81 HDAC1 (0.42) CCKBRHDAC1NAMPT
SCHEMBL6327932 0.81 TDP1 (0.42) BRD4CREBBPIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 WO 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 CCKBR 2133/4885BRD4 526/4885CREBBP 1147/4885

“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.