SCHEMBL3941808

SCHEMBL3941808

COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(CCN(C)C)C(C)=O)cc1)c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
NAMPT P43490 3/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CASP1 P29466 1/20 0.35
CHEK1 O14757 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AKT2 P31751 1/20 0.33
CSF1R P07333 3/20 0.33
ROCK2 O75116 2/20 0.33

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
SCHEMBL3941804 1.00 BACE1 (0.38) BACE1HTR1DHTR1BNAMPTKMT2A
SCHEMBL3933022 0.95 HTR1D (0.38) BACE1HTR1DHTR1BNAMPTKMT2A
SCHEMBL3933031 0.95 HTR1D (0.38) BACE1HTR1DHTR1BNAMPTKMT2A
SCHEMBL2571801 0.92 SENP1 (0.38) BACE1KMT2ACTDSP1CASP1CHEK1
SCHEMBL30737799 0.92 SENP1 (0.38) BACE1KMT2ACTDSP1CASP1CHEK1
SCHEMBL2571796 0.92 SENP1 (0.38) BACE1KMT2ACTDSP1CASP1CHEK1
SCHEMBL3937123 0.91 MAPT (0.36) BACE1KMT2ACASP1ALDH1A1CYP2D6
SCHEMBL3937120 0.91 MAPT (0.36) BACE1KMT2ACASP1ALDH1A1CYP2D6
SCHEMBL3935263 0.90 MAPT (0.37) BACE1KMT2ACTDSP1CASP1CHEK1
SCHEMBL5857291 0.90 MAPT (0.37) BACE1KMT2ACTDSP1CASP1CHEK1

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 BACE1 1424/4885HTR1D 349/4885HTR1B 818/4885

“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.