SCHEMBL3942740

SCHEMBL3942740

CN(C)CCN(C)C(=O)c1cc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccsc2)cn1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.33
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
PRKCA P17252 3/20 0.31
RPS6KA3 P51812 1/20 0.30
RPS6KA2 Q15349 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
SCHEMBL5858158 1.00 HRH4 (0.33) HRH4TLR9TLR8TLR7PRKCA
SCHEMBL3933498 0.89 PRKCA (0.32) PRKCA
SCHEMBL5857822 0.89 PRKCA (0.32) PRKCA
SCHEMBL3935885 0.87 KIF11 (0.37) HRH4PRKCA
SCHEMBL5856329 0.87 KIF11 (0.37) HRH4PRKCA
SCHEMBL5859686 0.84 HRH4 (0.35) HRH4TLR9TLR8TLR7RPS6KA3
SCHEMBL3934534 0.84 HRH4 (0.35) HRH4TLR9TLR8TLR7RPS6KA3
SCHEMBL5858144 0.84 UTS2R (0.38)
SCHEMBL3942426 0.84 UTS2R (0.38)
SCHEMBL3938186 0.84 POLB (0.39)

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 HRH4 973/4885TLR9 2386/4885TLR8 2413/4885

“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.