SCHEMBL3933124

SCHEMBL3933124

COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(C(=O)N(C)CCN(C)C)cc1)c1ccc2c(c1)OC=CO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.35
MTOR P42345 6/20 0.35
PIK3CG P48736 5/20 0.35
ROCK2 O75116 1/20 0.35
KMT2A Q03164 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CASP1 P29466 1/20 0.35
ALOX5 P09917 1/20 0.34
MCHR1 Q99705 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL3933118 1.00 PIK3CA (0.35) PIK3CAMTORPIK3CGROCK2KMT2A
SCHEMBL5857325 0.90 PIK3CA (0.35) PIK3CAMTORPIK3CGROCK2MCHR1
SCHEMBL3933134 0.90 BACE1 (0.36) PIK3CAMTORPIK3CGROCK2RAB9A
SCHEMBL3931660 0.90 PIK3CA (0.35) PIK3CAMTORPIK3CGROCK2MCHR1
SCHEMBL5856825 0.90 BACE1 (0.36) PIK3CAMTORPIK3CGROCK2RAB9A
SCHEMBL3934550 0.89 RAB9A (0.46) ROCK2KMT2ARAB9ANPC1CASP3
SCHEMBL3934556 0.89 RAB9A (0.46) ROCK2KMT2ARAB9ANPC1CASP3
SCHEMBL3943782 0.89 MAPT (0.41) ROCK2KMT2ARAB9ANPC1CASP3
SCHEMBL3943784 0.89 MAPT (0.41) ROCK2KMT2ARAB9ANPC1CASP3
SCHEMBL3935699 0.89 KMT2A (0.34) KMT2ACTDSP1CASP1ALOX5RAB9A

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 PIK3CA 261/4885MTOR 225/4885PIK3CG 701/4885

“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.