SCHEMBL3937769

SCHEMBL3937769

CC(=O)N(CCCN(C)C)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 5/20 0.33
NPSR1 Q6W5P4 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.31
PLK1 P53350 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL4488274 1.00 MAPT (0.37) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL3937768 1.00 MAPT (0.37) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL3935261 0.96 MAPT (0.38) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL4494848 0.96 MAPT (0.38) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL3935258 0.96 MAPT (0.38) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL3938869 0.90 LRRK2 (0.33) PLK1LRRK2
SCHEMBL3938877 0.90 LRRK2 (0.33) PLK1LRRK2
SCHEMBL3943977 0.88 MAPT (0.35) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL3943975 0.88 MAPT (0.35) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL225449 0.87 LRRK2 (0.36) MAPTPLK1LRRK2

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
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 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 (2 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR MAPT 545/4885KMT2A 3530/4885MAPK1 273/4885
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 MAPT 1798/4885KMT2A 1839/4885MAPK1 311/4885

“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.