SCHEMBL4490752

SCHEMBL4490752

CNCc1ccc(N/C(=C2\C(=O)Nc3cc(Br)ccc32)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CCNB1 P14635 1/20 0.37
CCR6 P51684 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
ACHE P22303 1/20 0.36
TGM2 P21980 1/20 0.36
BACE1 P56817 3/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PTPN1 P18031 1/20 0.34
FPR2 P25090 4/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP3 P42574 3/20 0.34
IDO1 P14902 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33

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
SCHEMBL4490758 1.00 CCNB2 (0.37) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL15423755 0.89 BACE1 (0.35) BACE1MAOAMAOBPTPN1MAPT
SCHEMBL4501618 0.89 BACE1 (0.43) TGM2BACE1MAOAMAOBPTPN1
SCHEMBL2571979 0.89 BACE1 (0.41) BACE1PTPN1MAPTTP53SMN1; SMN2
SCHEMBL4501619 0.89 BACE1 (0.43) TGM2BACE1MAOAMAOBPTPN1
SCHEMBL2571982 0.89 BACE1 (0.41) BACE1PTPN1MAPTTP53SMN1; SMN2
SCHEMBL225721 0.88 FFAR1 (0.41) BACE1IDO1
SCHEMBL225720 0.88 FFAR1 (0.41) BACE1IDO1
SCHEMBL227123 0.87 FFAR1 (0.42) FPR2
SCHEMBL227122 0.87 FFAR1 (0.42) FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR CCNB2 593/4885CDK1 21/4885HSP90AA1 4440/4885

“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.