SCHEMBL3943971

SCHEMBL3943971

COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(C)C(=O)CN(C)C)cc1)c1ccc2c(c1)OC=CO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.34
KMT2A Q03164 3/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CASP1 P29466 1/20 0.34
SENP1 Q9P0U3 1/20 0.33
ALOX5 P09917 1/20 0.33
AURKA O14965 1/20 0.33
RAF1 P04049 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
NOTUM Q6P988 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 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
SCHEMBL3943965 1.00 AAK1 (0.34) AAK1KMT2ACTDSP1CASP1SENP1
SCHEMBL3938626 0.93 CASP1 (0.35) AAK1KMT2ACTDSP1CASP1SENP1
SCHEMBL3939754 0.93 CASP1 (0.35) AAK1KMT2ACTDSP1CASP1SENP1
SCHEMBL3944064 0.90 NPC1 (0.32) NPC1POLBL3MBTL1
SCHEMBL3940650 0.90 BACE1 (0.36) AURKASMN1; SMN2RXFP1TP53BACE1
SCHEMBL5857886 0.90 BACE1 (0.36) AURKASMN1; SMN2RXFP1TP53BACE1
SCHEMBL5858243 0.90 NPC1 (0.32) NPC1POLBL3MBTL1
SCHEMBL3935514 0.90 GAA (0.44) KMT2ANPC1RAB9ASMN1; SMN2CASP3
SCHEMBL3935519 0.90 GAA (0.44) KMT2ANPC1RAB9ASMN1; SMN2CASP3
SCHEMBL23037445 0.88 SENP1 (0.43) AAK1KMT2ACTDSP1CASP1SENP1

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 AAK1 1459/4885KMT2A 1839/4885CTDSP1 673/4885

“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.