SCHEMBL6320644

SCHEMBL6320644

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
TDO2 P48775 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.37
PPIB P23284 1/20 0.36
KDR P35968 1/20 0.36
CCKAR P32238 1/20 0.35
CCKBR P32239 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MST1R Q04912 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 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
SCHEMBL6320651 1.00 IDO1 (0.39) IDO1TDO2HTTMEN1KMT2A
SCHEMBL6320537 0.91 IDO1 (0.38) IDO1TDO2HTTMEN1KMT2A
SCHEMBL6320532 0.91 IDO1 (0.38) IDO1TDO2HTTMEN1KMT2A
SCHEMBL6322255 0.90 IDO1 (0.41) IDO1TDO2HTTMEN1KMT2A
SCHEMBL6322249 0.90 IDO1 (0.41) IDO1TDO2HTTMEN1KMT2A
SCHEMBL4501362 0.89 PYGL (0.41) IDO1TDO2HTTNPC1POLB
SCHEMBL4501367 0.89 PYGL (0.41) IDO1TDO2HTTNPC1POLB
SCHEMBL6321618 0.89 IDO1 (0.42) IDO1TDO2HTTMEN1KMT2A
SCHEMBL6321612 0.89 IDO1 (0.42) IDO1TDO2HTTMEN1KMT2A
SCHEMBL2571128 0.88 SENP1 (0.41) HTTMEN1KMT2ARAB9ANPC1

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 IDO1 232/4885TDO2 762/4885HTT 4696/4885

“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.