SCHEMBL6325929

SCHEMBL6325929

CN(C)Cc1ccc(NC(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
CASP3 P42574 3/20 0.43
CAPN9 O14815 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
GSK3B P49841 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
MPI P34949 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP2 P42575 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL6325927 1.00 EGFR (0.47) EGFRCASP3CAPN9CA12CA1
SCHEMBL6320070 0.95 EGFR (0.44) EGFRCASP3CAPN9CA12CA1
SCHEMBL6320067 0.95 EGFR (0.44) EGFRCASP3CAPN9CA12CA1
SCHEMBL6320462 0.94 EGFR (0.44) EGFRCASP3CAPN9CA12CA1
SCHEMBL6320468 0.94 EGFR (0.44) EGFRCASP3CAPN9CA12CA1
SCHEMBL6320536 0.94 EGFR (0.45) EGFRCASP3CAPN9CA12CA1
SCHEMBL6320531 0.94 EGFR (0.45) EGFRCASP3CAPN9CA12CA1
SCHEMBL6325185 0.93 MEN1 (0.43) EGFRCASP3CAPN9CA12CA1
SCHEMBL6325192 0.93 MEN1 (0.43) EGFRCASP3CAPN9CA12CA1
SCHEMBL6322864 0.90 MAPT (0.40) ALDH1A1KDM4EMEN1KMT2AMAPT

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 EGFR 152/4885CASP3 1939/4885CAPN9 3394/4885

“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.