SCHEMBL3936621

SCHEMBL3936621

CN(C)CCN(c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc3c(c2)OC=CO3)cc1)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
PDGFRB P09619 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
BRD4 O60885 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
FLT3 P36888 1/20 0.30
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
KIT P10721 1/20 0.30
KDR P35968 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL5857821 1.00 BACE1 (0.33) BACE1PDGFRBNPC1POLBRAB9A
SCHEMBL4093539 0.91 NPC1 (0.32) NPC1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL5857103 0.91 NPC1 (0.32) NPC1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL3942249 0.90 POLB (0.40) NPC1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL3942243 0.90 POLB (0.40) NPC1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL3936273 0.90 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL3936038 0.90 ALDH1A1 (0.41) NPC1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL5856944 0.90 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL3934926 0.90 ALDH1A1 (0.41) NPC1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL3934951 0.88 BACE1 (0.35) BACE1PDGFRBSMN1; SMN2BRD4FLT3

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 1424/4885PDGFRB 609/4885NPC1 4723/4885

“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.