SCHEMBL3940650

SCHEMBL3940650

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
PDGFRB P09619 2/20 0.33
FLT3 P36888 2/20 0.32
TGM2 P21980 1/20 0.32
KDR P35968 2/20 0.31
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
AURKA O14965 1/20 0.31
PDGFRA P16234 1/20 0.31
AURKB Q96GD4 1/20 0.31
AURKC Q9UQB9 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL5857886 1.00 BACE1 (0.36) BACE1PDGFRBFLT3TGM2KDR
SCHEMBL5856908 0.93 BACE1 (0.35) BACE1PDGFRBFLT3TGM2KDR
SCHEMBL5856923 0.93 BACE1 (0.35) BACE1PDGFRBFLT3TGM2KDR
SCHEMBL3944064 0.90 NPC1 (0.32) KDRMAPT
SCHEMBL3943965 0.90 AAK1 (0.34) BACE1AURKATP53SMN1; SMN2RXFP1
SCHEMBL5858243 0.90 NPC1 (0.32) KDRMAPT
SCHEMBL3943971 0.90 AAK1 (0.34) BACE1AURKATP53SMN1; SMN2RXFP1
SCHEMBL3942267 0.90 CASP3 (0.43) AURKBMAPTSMN1; SMN2
SCHEMBL5858063 0.90 CASP3 (0.43) AURKBMAPTSMN1; SMN2
SCHEMBL3939898 0.86 AAK1 (0.41) PDGFRBFLT3KDRPDGFRA

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 609/4885FLT3 71/4885

“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.