SCHEMBL6328209

SCHEMBL6328209

CC(C)(C)OC(=O)Nc1ccc(N/C(=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
BCL2 P10415 2/20 0.45
BECN1 Q14457 2/20 0.45
EGFR P00533 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CASP3 P42574 2/20 0.41
CAPN9 O14815 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
RAB9A P51151 1/20 0.40
TGM2 P21980 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
MMP1 P03956 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
SCHEMBL6327630 0.91 EGFR (0.40) GSK3BBCL2BECN1EGFRMEN1
SCHEMBL6320461 0.91 NAMPT (0.42) GSK3BBCL2BECN1EGFRMEN1
SCHEMBL6317790 0.91 EGFR (0.40) GSK3BBCL2BECN1EGFRMEN1
SCHEMBL6320283 0.89 NAMPT (0.43) GSK3BBCL2BECN1EGFRMEN1
SCHEMBL6319460 0.87 EGFR (0.54) GSK3BEGFRMEN1KMT2AMAPT
SCHEMBL6319442 0.87 EGFR (0.54) GSK3BEGFRMEN1KMT2AMAPT
SCHEMBL6318831 0.87 ITGB3 (0.47)
SCHEMBL6328201 0.87 NAMPT (0.38) GSK3BBCL2BECN1EGFRMEN1
SCHEMBL6321081 0.87 EGFR (0.49) GSK3BEGFRMEN1KMT2AMAPT
SCHEMBL6321088 0.87 EGFR (0.49) GSK3BEGFRMEN1KMT2AMAPT

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 GSK3B 231/4885BCL2 1878/4885BECN1 2934/4885

“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.