SCHEMBL5856908

SCHEMBL5856908

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
FLT3 P36888 3/20 0.34
PDGFRB P09619 2/20 0.33
TERT O14746 3/20 0.32
TGM2 P21980 1/20 0.32
CASP3 P42574 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDR P35968 2/20 0.31
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
AURKA O14965 1/20 0.30
PDGFRA P16234 1/20 0.30
AURKB Q96GD4 1/20 0.30
AURKC Q9UQB9 1/20 0.30
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
GAA P10253 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
SCHEMBL5856923 1.00 BACE1 (0.35) BACE1FLT3PDGFRBTERTTGM2
SCHEMBL5857886 0.93 BACE1 (0.36) BACE1FLT3PDGFRBTGM2KDR
SCHEMBL3940650 0.93 BACE1 (0.36) BACE1FLT3PDGFRBTGM2KDR
SCHEMBL3939754 0.91 CASP1 (0.35) PDGFRBTERTCASP3KDRAURKA
SCHEMBL3942164 0.91 PLK1 (0.33) FLT3PDGFRBTERTHRH3KDR
SCHEMBL3938626 0.91 CASP1 (0.35) PDGFRBTERTCASP3KDRAURKA
SCHEMBL5857146 0.91 PLK1 (0.33) FLT3PDGFRBTERTHRH3KDR
SCHEMBL3931888 0.90 MAOB (0.42) CASP3MAPTSMN1; SMN2GAA
SCHEMBL3931883 0.90 MAOB (0.42) CASP3MAPTSMN1; SMN2GAA
SCHEMBL3932991 0.90 CASP3 (0.42) CASP3AURKBMAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1424/4885FLT3 71/4885PDGFRB 609/4885

“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.