SCHEMBL5858056

SCHEMBL5858056

CN(C(=O)C(C)(C)N)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc3c(c2)OOC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
PDGFRB P09619 1/20 0.31
NOTUM Q6P988 1/20 0.31
BRD4 O60885 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

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
SCHEMBL5858412 0.92 MITF (0.31) MAPT
SCHEMBL5859232 0.89 NAMPT (0.31)
SCHEMBL5857877 0.88 CA12 (0.33) MAPTSMN1; SMN2
SCHEMBL5858270 0.88 RXFP1 (0.37) NOTUMTP53MAPTSMN1; SMN2RXFP1
SCHEMBL5856885 0.87 BACE1 (0.34) BACE1PDGFRB
SCHEMBL3940647 0.86 BACE1 (0.35) BACE1PDGFRBNOTUMBRD4TP53
SCHEMBL5859382 0.84 NOTUM (0.36) NOTUMTP53SMN1; SMN2
SCHEMBL3935527 0.83 AAK1 (0.40) BACE1PDGFRB
SCHEMBL4488531 0.83 BACE1 (0.41) BACE1PDGFRBNOTUMBRD4TP53
SCHEMBL4500074 0.83 BACE1 (0.38) 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 2 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
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.