SCHEMBL3939754

SCHEMBL3939754

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
KMT2A Q03164 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
SENP1 Q9P0U3 1/20 0.33
ALOX5 P09917 1/20 0.33
AURKA O14965 1/20 0.32
RAF1 P04049 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
TERT O14746 3/20 0.32
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL3938626 1.00 CASP1 (0.35) CASP1AAK1KMT2ACTDSP1SENP1
SCHEMBL3943965 0.93 AAK1 (0.34) CASP1AAK1KMT2ACTDSP1SENP1
SCHEMBL3943971 0.93 AAK1 (0.34) CASP1AAK1KMT2ACTDSP1SENP1
SCHEMBL5857146 0.91 PLK1 (0.33) NPC1TERTPDGFRBKDRLRRK2
SCHEMBL5856923 0.91 BACE1 (0.35) AURKACASP3SMN1; SMN2TERTPDGFRB
SCHEMBL5856908 0.91 BACE1 (0.35) AURKACASP3SMN1; SMN2TERTPDGFRB
SCHEMBL3942164 0.91 PLK1 (0.33) NPC1TERTPDGFRBKDRLRRK2
SCHEMBL3935694 0.89 KMT2A (0.34) CASP1KMT2ACTDSP1ALOX5AURKA
SCHEMBL3935699 0.89 KMT2A (0.34) CASP1KMT2ACTDSP1ALOX5AURKA
SCHEMBL727111 0.89 SENP1 (0.42) CASP1AAK1KMT2ACTDSP1SENP1

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 CASP1 1119/4885AAK1 1459/4885KMT2A 1839/4885

“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.