SCHEMBL3930672

SCHEMBL3930672

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(CCCN(C)C)C(C)=O)cc1)c1ccc2scnc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
KMT2A Q03164 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NTRK1 P04629 4/20 0.33
NTRK2 Q16620 4/20 0.33
CASP1 P29466 1/20 0.33
MEN1 O00255 3/20 0.33
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
LCK P06239 1/20 0.32
RET P07949 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
SCHEMBL3930677 1.00 NPC1 (0.34) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL3940709 0.96 NPC1 (0.35) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL3940705 0.96 NPC1 (0.35) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL5857625 0.94 NPC1 (0.41) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL5857640 0.94 NPC1 (0.41) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL3942727 0.90 NPC1 (0.42) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL3942723 0.90 NPC1 (0.42) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL3934975 0.88 MAPT (0.36) NPC1RAB9AKMT2ASMN1; SMN2LMNA
SCHEMBL5856823 0.88 MAPT (0.36) NPC1RAB9AKMT2ASMN1; SMN2LMNA
SCHEMBL3934638 0.87 KMT2A (0.35) NPC1RAB9AKMT2ASMN1; SMN2KDM4E

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 NPC1 4723/4885RAB9A 3709/4885KMT2A 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.