SCHEMBL5856829

SCHEMBL5856829

CN(C)CC(=O)N(C)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccncc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
MAPK1 P28482 1/20 0.35
NAMPT P43490 2/20 0.35
TGM2 P21980 1/20 0.35
CSF1R P07333 3/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
AHR P35869 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PDPK1 O15530 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
AKT2 P31751 1/20 0.33
GAA P10253 1/20 0.33
KCNMA1 Q12791 3/20 0.33
KDR P35968 1/20 0.33
CES1 P23141 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
SCHEMBL5856824 1.00 BACE1 (0.37) BACE1MAPK1NAMPTTGM2CSF1R
SCHEMBL227305 0.93 KDR (0.37) NPC1POLBAHRLRRK2KDR
SCHEMBL227306 0.93 KDR (0.37) NPC1POLBAHRLRRK2KDR
SCHEMBL4500471 0.91 ALDH1A1 (0.37) BACE1TGM2NPC1POLBAHR
SCHEMBL4500472 0.91 ALDH1A1 (0.37) BACE1TGM2NPC1POLBAHR
SCHEMBL4506126 0.90 LRRK2 (0.43) TGM2NPC1POLBAHRLRRK2
SCHEMBL4506123 0.90 LRRK2 (0.43) TGM2NPC1POLBAHRLRRK2
SCHEMBL4502981 0.89 NPC1 (0.38) NPC1POLBAHRLRRK2GAA
SCHEMBL4502980 0.89 NPC1 (0.38) NPC1POLBAHRLRRK2GAA
SCHEMBL3942858 0.88 BACE1 (0.39) BACE1NAMPTCSF1RPDPK1

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 1424/4885MAPK1 311/4885NAMPT 1870/4885

“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.