SCHEMBL1369149

SCHEMBL1369149

COc1cc(C(=O)Nc2cc(C(=O)Nc3cnc4[nH]ccc4c3)c(Cl)cc2F)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
BRAF P15056 7/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TNIK Q9UKE5 1/20 0.45
ABCB1 P08183 3/20 0.44
ABCC1 P33527 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
BRD4 O60885 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1366465 0.89 BRAF (0.49) BRAFTNIKABCB1ABCC1RAB9A
SCHEMBL1367174 0.83 NPC1 (0.44) BRAFTNIKRAB9AMAPTNPC1
SCHEMBL1366219 0.83 BRAF (0.44) BRAFSMN1; SMN2TNIKRAB9AMAPT
SCHEMBL1366468 0.83 SCN8A (0.50) BRAFTNIKRAB9AMAPTNPC1
SCHEMBL1366246 0.81 NPC1 (0.48) MEN1KMT2ABRAFTNIKRAB9A
SCHEMBL1366244 0.81 NPC1 (0.48) MEN1KMT2ABRAFTNIKRAB9A
SCHEMBL1367068 0.80 SMO (0.54) MEN1KMT2ABRAFSMN1; SMN2TNIK
SCHEMBL1366054 0.78 BRAF (0.47) BRAF
SCHEMBL4503280 0.77 P4HTM (0.52) BRAFSMN1; SMN2TNIKBRD4
SCHEMBL1368279 0.76 BRAF (0.55) BRAFRAB9ANPC1

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
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
CN-101511828-A Heteroaryl derivatives as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2009-08-19 CN 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 MEN1 2591/4885KMT2A 1755/4885BRAF 35/4885

“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.