SCHEMBL3935838

SCHEMBL3935838

CC(=O)N(CCCN(C)C)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3oc(=O)[nH]c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRA2A P08913 1/20 0.34
TSHR P16473 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IDH1 O75874 1/20 0.33
RAB9A P51151 1/20 0.32
LIMK1 P53667 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
ALPL P05186 1/20 0.31
PLK1 P53350 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL3941122 0.96 LMNA (0.36) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL3933023 0.94 CREBBP (0.36) RAB9AMEN1KMT2AALPL
SCHEMBL3936297 0.90 CREBBP (0.38) RAB9ALIMK1MEN1KMT2AALPL
SCHEMBL225449 0.88 LRRK2 (0.36) RAB9ALIMK1PLK1LRRK2LCK
SCHEMBL225448 0.88 LRRK2 (0.36) RAB9ALIMK1PLK1LRRK2LCK
SCHEMBL3942272 0.87 LMNA (0.35) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL3941038 0.86 LMNA (0.37) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL4488448 0.85 LRRK2 (0.35) RAB9ALIMK1PLK1LRRK2LCK
SCHEMBL4488452 0.85 LRRK2 (0.35) RAB9ALIMK1PLK1LRRK2LCK
SCHEMBL5857178 0.85 PLK1 (0.34) RAB9ALIMK1PLK1LRRK2LCK

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-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
EP-1551830-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-13 EP 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
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 WO 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 LMNA 1567/4885CYP1A2 381/4885ADRA2A 1463/4885

“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.