SCHEMBL5856822

SCHEMBL5856822

CN(C(=O)C(C)(C)N)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccncc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
PDPK1 O15530 1/20 0.35
MAPK1 P28482 1/20 0.35
TGM2 P21980 1/20 0.35
CSF1R P07333 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
AHR P35869 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CHEK1 O14757 1/20 0.34
AKT2 P31751 1/20 0.33
NAMPT P43490 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 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
SCHEMBL227304 0.93 KDR (0.36) BACE1CSF1RNPC1POLBAHR
SCHEMBL4500469 0.91 LRRK2 (0.35) BACE1TGM2NPC1POLBAHR
SCHEMBL4506120 0.90 LRRK2 (0.42) TGM2NPC1POLBAHRLRRK2
SCHEMBL4502977 0.89 NPC1 (0.37) NPC1POLBAHRLRRK2KDR
SCHEMBL5858470 0.88 NOTUM (0.41) BACE1PDPK1CSF1RPOLBCHEK1
SCHEMBL5859779 0.88 RAB9A (0.36) NPC1POLBAHRLRRK2CYP1A2
SCHEMBL3943046 0.87 NPC1 (0.33) BACE1TGM2CSF1RNPC1POLB
SCHEMBL4493232 0.87 NPC1 (0.39) NPC1POLB
SCHEMBL4476546 0.87 CASP3 (0.37) MAPK1NPC1
SCHEMBL4485965 0.87 NR1H4 (0.39)

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 1424/4885PDPK1 210/4885MAPK1 311/4885

“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.