SCHEMBL6322601

SCHEMBL6322601

N#Cc1cccc(NC(=C2C(=O)Nc3ccccc32)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
STK10 O94804 4/20 0.44
SLK Q9H2G2 4/20 0.44
BRAF P15056 1/20 0.43
KDR P35968 2/20 0.43
IDO1 P14902 1/20 0.43
CHEK1 O14757 1/20 0.43
TLK2 Q86UE8 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL6320241 1.00 ALDH1A1 (0.46) ALDH1A1MAPTHTTLMNASTK10
SCHEMBL7084876 0.88 PDPK1 (0.43) ALDH1A1MAPTHTTLMNASTK10
SCHEMBL7084871 0.88 PDPK1 (0.43) ALDH1A1MAPTHTTLMNASTK10
SCHEMBL6319407 0.87 KDR (0.55) ALDH1A1MAPTHTTKDRIDO1
SCHEMBL6321013 0.87 KDR (0.55) ALDH1A1MAPTHTTKDRIDO1
SCHEMBL7492390 0.86 KDR (0.43) ALDH1A1MAPTBRAFKDRTLK2
SCHEMBL6326057 0.85 EGFR (0.53) ALDH1A1MAPTHTTLMNABRAF
SCHEMBL6326910 0.85 EGFR (0.53) ALDH1A1MAPTHTTLMNABRAF
SCHEMBL6320376 0.84 KDR (0.48) ALDH1A1MAPTHTTLMNAKDR
SCHEMBL6320369 0.84 KDR (0.48) ALDH1A1MAPTHTTLMNAKDR

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 ALDH1A1 1810/4885MAPT 3817/4885HTT 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.