SCHEMBL3939954

SCHEMBL3939954

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
CASP1 P29466 1/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
NAMPT P43490 4/20 0.35
BRAF P15056 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CHEK1 O14757 1/20 0.34
ALDH1A1 P00352 1/20 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
SENP1 Q9P0U3 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
SCHEMBL3939965 1.00 BACE1 (0.38) BACE1CASP1HTR1DHTR1BNAMPT
SCHEMBL31093998 0.92 SENP1 (0.42) BACE1CASP1AAK1KMT2ACTDSP1
SCHEMBL5180585 0.92 SENP1 (0.42) BACE1CASP1AAK1KMT2ACTDSP1
SCHEMBL2572795 0.92 SENP1 (0.42) BACE1CASP1AAK1KMT2ACTDSP1
SCHEMBL3942858 0.92 BACE1 (0.39) BACE1CASP1HTR1DHTR1BNAMPT
SCHEMBL5858472 0.92 BACE1 (0.39) BACE1CASP1HTR1DHTR1BNAMPT
SCHEMBL727111 0.92 SENP1 (0.42) BACE1CASP1AAK1KMT2ACTDSP1
SCHEMBL3932213 0.91 MAPT (0.36) BACE1CASP1BRAFAAK1KMT2A
SCHEMBL3932221 0.91 MAPT (0.36) BACE1CASP1BRAFAAK1KMT2A
SCHEMBL3943064 0.90 MAPT (0.38) BACE1CASP1BRAFAAK1KMT2A

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 BACE1 1424/4885CASP1 1119/4885HTR1D 349/4885

“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.