SCHEMBL6325855

SCHEMBL6325855

CN(C)CCNC(=O)c1ccc(NC(=C2C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
AKT2 P31751 2/20 0.45
PDPK1 O15530 1/20 0.44
PDK1 Q15118 1/20 0.44
MCHR1 Q99705 2/20 0.42
SETD7 Q8WTS6 1/20 0.42
ABL1 P00519 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TOP2A P11388 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NFKB1 P19838 1/20 0.40
KCNH2 Q12809 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6325852 1.00 NAMPT (0.46) NAMPTTDP1AKT2PDPK1PDK1
SCHEMBL4489121 0.89 TMEM97 (0.43) NAMPTTDP1AKT2PDPK1PDK1
SCHEMBL4489124 0.89 TMEM97 (0.43) NAMPTTDP1AKT2PDPK1PDK1
SCHEMBL3846251 0.88 MCHR1 (0.44) NAMPTTDP1AKT2PDPK1PDK1
SCHEMBL6327836 0.88 IDO1 (0.39) TDP1AKT2PDPK1PDK1ABL1
SCHEMBL6327838 0.88 IDO1 (0.39) TDP1AKT2PDPK1PDK1ABL1
SCHEMBL6320812 0.87 HPGD (0.52) NAMPTTDP1ALDH1A1HPGD
SCHEMBL6320821 0.87 HPGD (0.52) NAMPTTDP1ALDH1A1HPGD
SCHEMBL4497225 0.86 SIGMAR1 (0.46) NAMPTTDP1AKT2PDPK1PDK1
SCHEMBL4497220 0.86 SIGMAR1 (0.46) NAMPTTDP1AKT2PDPK1PDK1

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 2246/4885TDP1 1212/4885AKT2 262/4885

“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.