SCHEMBL6328196

SCHEMBL6328196

N#CCc1ccc(N/C(=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.53
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
CASP3 P42574 2/20 0.41
CAPN9 O14815 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MPI P34949 2/20 0.39
PKM P14618 1/20 0.39
GALK1 P51570 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
THRA P10827 1/20 0.39
TGM2 P21980 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL6328200 1.00 EGFR (0.53) EGFRKMT2AMEN1CASP3CAPN9
SCHEMBL6319442 0.88 EGFR (0.54) EGFRKMT2AMEN1CASP3CAPN9
SCHEMBL6319460 0.88 EGFR (0.54) EGFRKMT2AMEN1CASP3CAPN9
SCHEMBL6319029 0.88 EGFR (0.48) EGFRKMT2AMEN1CASP3CAPN9
SCHEMBL6319019 0.88 EGFR (0.48) EGFRKMT2AMEN1CASP3CAPN9
SCHEMBL6327092 0.88 EGFR (0.55) EGFRKMT2AMEN1CASP3CAPN9
SCHEMBL6324916 0.88 EGFR (0.55) EGFRKMT2AMEN1CASP3CAPN9
SCHEMBL29642973 0.87 EGFR (0.55) EGFRKMT2AMEN1CASP3CAPN9
SCHEMBL28414296 0.87 EGFR (0.55) EGFRKMT2AMEN1CASP3CAPN9
Hydrochloric Acid SCHEMBL6319468 0.87 EGFR (0.47) EGFRKMT2AMEN1CASP3CAPN9

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 4 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
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US 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 152/4885KMT2A 750/4885MEN1 3345/4885

“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.