SCHEMBL1367068

SCHEMBL1367068

COc1cc(C(=O)Nc2ccc(C)c(C(=O)Nc3cnc4[nH]ccc4c3)c2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TNIK Q9UKE5 1/20 0.51
BRAF P15056 4/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
BRD4 O60885 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KIT P10721 1/20 0.48
BMX P51813 2/20 0.47
DDR1 Q08345 2/20 0.47
MAPK14 Q16539 2/20 0.47
BTK Q06187 1/20 0.47
ABCB1 P08183 1/20 0.47
PIK3CA P42336 2/20 0.46
MTOR P42345 2/20 0.46

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
SCHEMBL4503280 0.90 P4HTM (0.52) SMN1; SMN2TNIKBRAFBRD4KIT
SCHEMBL1366047 0.87 TNIK (0.55) SMN1; SMN2TNIKBRAFMEN1KMT2A
SCHEMBL17420246 0.84 NPC1 (0.55) BRAFKMT2AKITMAPK14BTK
SCHEMBL1366247 0.80 TNIK (0.49) SMN1; SMN2TNIKMEN1KMT2AKIT
SCHEMBL1366253 0.80 TNIK (0.49) SMN1; SMN2TNIKMEN1KMT2AKIT
SCHEMBL1369149 0.80 MEN1 (0.49) SMN1; SMN2TNIKBRAFMEN1KMT2A
SCHEMBL1367416 0.80 TNIK (0.49) SMN1; SMN2TNIKMEN1KMT2AKIT
SCHEMBL1367223 0.80 PIK3CA (0.49) SMN1; SMN2TNIKBRAFMEN1KMT2A
SCHEMBL1369147 0.80 SCN8A (0.53) TNIKBRAFBTK
SCHEMBL1367425 0.78 KIT (0.56) TNIKBRAFKITPIK3CAMTOR

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 6 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
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP claimed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO 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

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 SMO 2504/4885SMN1; SMN2 4275/4885TNIK 257/4885

“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.