SCHEMBL1366076

SCHEMBL1366076

CN(C)CCCOc1ccc(C=CC(=O)Nc2ccc(Cl)c(C(=O)Nc3cnc4[nH]ccc4c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.52
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
MCHR1 Q99705 4/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
CDK8 P49336 3/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
PIP4K2A P48426 1/20 0.39
PIP4K2B P78356 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL1366073 1.00 BRAF (0.52) BRAFMAPTTP53MCHR1CDK7
SCHEMBL1368519 0.80 BRAF (0.57) BRAFCDK7CCNHCDK8PIK3CA
SCHEMBL1368528 0.80 BRAF (0.57) BRAFCDK7CCNHCDK8PIK3CA
SCHEMBL1366226 0.77 BRAF (0.55) BRAFMAPTCDK8
SCHEMBL1366223 0.77 BRAF (0.55) BRAFMAPTCDK8
SCHEMBL1367636 0.76 BRAF (0.52) BRAFMAPTMCHR1CDK7CCNH
SCHEMBL1366164 0.74 BRAF (0.54) BRAFCDK7CCNHCDK8PIK3CA
SCHEMBL1366159 0.74 BRAF (0.54) BRAFCDK7CCNHCDK8PIK3CA
SCHEMBL1367889 0.72 BRAF (0.59) BRAFCDK8PIK3CAMTOR
SCHEMBL1367764 0.71 BRAF (0.58) BRAFMAPTCDK7CCNHCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US claimed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US claimed
CN-101511828-A Heteroaryl derivatives as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2009-08-19 CN claimed
US-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
CN-101511828-A Heteroaryl derivatives as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2009-08-19 CN disclosed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP disclosed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO 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-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, PRKACA BRAF 35/4885MAPT 3427/4885TP53 685/4885

“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.