SCHEMBL6403737

SCHEMBL6403737

CC(C)(C)OC(=O)NCC(=O)NCc1ccc(NC(=C2C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.43
AKT1 P31749 1/20 0.40
HDAC1 Q13547 2/20 0.40
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
MAPK10 P53779 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB10 P40306 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 1.00 NAMPT (0.43) NAMPTAKT1HDAC1MAPTTDP1
SCHEMBL6328078 0.92 MAPK10 (0.40) HDAC1MAPTTDP1NPFFR1NPFFR2
SCHEMBL6328201 0.87 NAMPT (0.38) NAMPTHDAC1MAPTFPR3FPR2
SCHEMBL6321171 0.85 BRD4 (0.47) NAMPTTDP1BRD4CREBBPMAPK10
SCHEMBL2574498 0.84 HDAC1 (0.45) NAMPTHDAC1MAPTTDP1FPR3
SCHEMBL6322695 0.84 CCKBR (0.49) NAMPTAKT1HDAC1BRD4CREBBP
SCHEMBL4504168 0.83 NAMPT (0.44) NAMPTHDAC1MAPTTDP1FPR3
SCHEMBL4499192 0.83 NAMPT (0.44) NAMPTAKT1HDAC1MAPTTDP1
SCHEMBL6324728 0.83 L3MBTL1 (0.42) NAMPTAKT1MAPTTDP1MAPK1
SCHEMBL6324724 0.83 L3MBTL1 (0.42) NAMPTAKT1MAPTTDP1MAPK1

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-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

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 NAMPT 2246/4885AKT1 136/4885HDAC1 235/4885

“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.