SCHEMBL3935651

SCHEMBL3935651

CN(C)CCC(=O)N(C)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3c(c2)oc(=O)n3C)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
PIK3CB P42338 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL5856936 0.93 KDM4E (0.39) TP53KDM4EMAPTKMT2ALMNA
SCHEMBL3945313 0.88 KDM4E (0.38) TP53KDM4EMAPTKMT2ALMNA
SCHEMBL3934197 0.87 KDM4E (0.39) TP53KDM4EMAPTKMT2ALMNA
SCHEMBL3933356 0.87 AAK1 (0.40) TP53KDM4EMAPTPOLBTDP1
SCHEMBL3930243 0.87 KDM4E (0.37) TP53KDM4EMAPTKMT2ALMNA
SCHEMBL3933015 0.86 PKM (0.38) TP53KDM4EMAPTKMT2ALMNA
SCHEMBL3937682 0.86 KDM4E (0.39) TP53KDM4EMAPTKMT2ALMNA
SCHEMBL3933165 0.85 CREBBP (0.38) KDM4EKMT2APOLBTDP1ALDH1A1
SCHEMBL3942272 0.84 LMNA (0.35) KMT2ALMNAPOLBTSHR
SCHEMBL4477439 0.84 TERT (0.34) POLB

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
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP 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-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 (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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 TP53 398/4885KDM4E 902/4885MAPT 1798/4885

“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.