SCHEMBL6319632

SCHEMBL6319632

CC(=O)N(CCCN(C)C)c1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 2/20 0.36
TDO2 P48775 1/20 0.36
KDR P35968 1/20 0.36
LTA4H P09960 2/20 0.35
ALDH1A1 P00352 3/20 0.34
ADRB2 P07550 1/20 0.34
POLB P06746 1/20 0.34
CFTR P13569 2/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MST1R Q04912 1/20 0.34

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
SCHEMBL6319638 1.00 MEN1 (0.38) MEN1NPC1RAB9AKMT2AIDO1
SCHEMBL6319347 0.94 MEN1 (0.39) MEN1NPC1RAB9AKMT2AIDO1
SCHEMBL6319359 0.94 MEN1 (0.39) MEN1NPC1RAB9AKMT2AIDO1
SCHEMBL436225 0.91 IDO1 (0.40) MEN1RAB9AKMT2AIDO1TDO2
SCHEMBL436226 0.91 IDO1 (0.40) MEN1RAB9AKMT2AIDO1TDO2
SCHEMBL6322736 0.91 ADRA2C (0.41) MEN1NPC1RAB9AKMT2AIDO1
SCHEMBL6322733 0.91 ADRA2C (0.41) MEN1NPC1RAB9AKMT2AIDO1
SCHEMBL4488454 0.90 SIRT2 (0.36) LTA4HALDH1A1ADRB2POLBCFTR
SCHEMBL4488458 0.90 SIRT2 (0.36) LTA4HALDH1A1ADRB2POLBCFTR
SCHEMBL30979378 0.90 SIRT2 (0.36) LTA4HALDH1A1ADRB2POLBCFTR

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 MEN1 3345/4885NPC1 4477/4885RAB9A 2092/4885

“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.