SCHEMBL3940647

SCHEMBL3940647

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
PDGFRB P09619 1/20 0.33
NOTUM Q6P988 1/20 0.33
BRD4 O60885 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TGM2 P21980 1/20 0.32
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDR P35968 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
SCHEMBL3943961 0.91 NOTUM (0.39) BACE1NOTUMTP53SMN1; SMN2CASP3
SCHEMBL3944063 0.91 PLK1 (0.32) NOTUMTP53SMN1; SMN2CA12CA1
SCHEMBL3940650 0.86 BACE1 (0.36) BACE1PDGFRBTP53MAPTSMN1; SMN2
SCHEMBL5857886 0.86 BACE1 (0.36) BACE1PDGFRBTP53MAPTSMN1; SMN2
SCHEMBL5858056 0.86 BACE1 (0.34) BACE1PDGFRBNOTUMBRD4TP53
SCHEMBL4488531 0.86 BACE1 (0.41) BACE1PDGFRBNOTUMBRD4TP53
SCHEMBL5856923 0.86 BACE1 (0.35) BACE1PDGFRBTP53MAPTSMN1; SMN2
SCHEMBL5856908 0.86 BACE1 (0.35) BACE1PDGFRBTP53MAPTSMN1; SMN2
SCHEMBL4500074 0.85 BACE1 (0.38) BACE1PDGFRBNOTUMBRD4TP53
SCHEMBL5856882 0.84 BACE1 (0.35) BACE1PDGFRBNOTUMBRD4TP53

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 1424/4885PDGFRB 609/4885NOTUM 3379/4885

“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.