SCHEMBL1366699

SCHEMBL1366699

O=C(Nc1cc(C(=O)Nc2cnc3[nH]ccc3c2)c(Cl)cc1F)c1cc(-c2ccccc2Cl)no1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.46
BRAF P15056 12/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 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
SCHEMBL1367333 0.88 NPC1 (0.57) CYP1A2CYP2C19MEN1KMT2ANPC1
SCHEMBL1368477 0.84 MEN1 (0.54) CYP1A2CYP2C19MEN1KMT2ANPC1
SCHEMBL1367368 0.75 BRAF (0.44) NPC1BRAFPIK3CAMTORRAB9A
SCHEMBL1366465 0.75 BRAF (0.49) NPC1BRAFMAPTRAB9A
SCHEMBL1366054 0.75 BRAF (0.47) BRAF
SCHEMBL1368279 0.74 BRAF (0.55) NPC1BRAFPIK3CAMTORRAB9A
SCHEMBL1366219 0.74 BRAF (0.44) NPC1SMN1; SMN2BRAFMAPTPIK3CA
SCHEMBL1367174 0.74 NPC1 (0.44) NPC1HPGDBRAFMAPTALDH1A1
SCHEMBL1369149 0.73 MEN1 (0.49) CYP1A2CYP2C19MEN1KMT2ANPC1
SCHEMBL4106117 0.73 BRAF (0.54) NPC1BRAFPIK3CAMTORRAB9A

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 4 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
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 CYP1A2 924/4885CYP2C19 998/4885MEN1 2591/4885

“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.