SCHEMBL681128

SCHEMBL681128

Cc1ccc(Nc2nc3cc(Oc4ccnc(-c5ncc(C(F)(F)F)[nH]5)c4)ccc3n2C)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.87
RAF1 P04049 9/20 0.87
KDR P35968 5/20 0.87
LCK P06239 3/20 0.87
FYN P06241 3/20 0.87
PDGFRB P09619 3/20 0.87
KIT P10721 3/20 0.87
FLT1 P17948 3/20 0.87
FLT4 P35916 3/20 0.87
STK25 O00506 1/20 0.87
CIT O14578 1/20 0.87
EPHB6 O15197 1/20 0.87
MAP3K7 O43318 1/20 0.87
RIPK2 O43353 1/20 0.87
PAK3 O75914 1/20 0.87
STK10 O94804 1/20 0.87
MAP4K4 O95819 1/20 0.87
ABL1 P00519 1/20 0.87
CSF1R P07333 1/20 0.87
YES1 P07947 1/20 0.87

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
Raf-265 SCHEMBL686452 0.93 BRAF (1.00) BRAFRAF1KDRLCKFYN
Raf-265 SCHEMBL1562237 0.93 BRAF (1.00) BRAFRAF1KDRLCKFYN
SCHEMBL11996499 0.93 BRAF (0.87) BRAFRAF1KDRLCKFYN
Raf-265 SCHEMBL29368571 0.93 BRAF (1.00) BRAFRAF1KDRLCKFYN
Raf-265 SCHEMBL29355586 0.93 BRAF (1.00) BRAFRAF1KDRLCKFYN
SCHEMBL12811765 0.92 BRAF (0.86) BRAFRAF1KDRLCKFYN
SCHEMBL1435193 0.92 BRAF (0.86) BRAFRAF1KDRLCKFYN
SCHEMBL1435161 0.92 BRAF (0.86) BRAFRAF1KDRLCKFYN
SCHEMBL1435427 0.92 BRAF (0.86) BRAFRAF1KDRLCKFYN
SCHEMBL19661215 0.92 BRAF (0.91) BRAFRAF1KDRLCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9241939-B2 Combination of (a) a phosphoinositide 3-kinase inhibitor and (b) a modulator of RAS/RAF/MEK pathway NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150105417-A1 Combination of (a) a phosphoinositide 3-kinase inhibitor and (b) a modulator of RAS/RAF/MEK pathway GARCIA-ECHEVERRIA CARLOS (FR) 2015-04-16 US disclosed
US-8962650-B2 Therapeutic agent for tumor EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-24 US disclosed
US-20140057904-A1 Combination of (a) a phosphoinositide 3-kinase inhibitor and (b) a modulator of RAS/RAF/MEK pathway GARCIA-ECHEVERRIA CARLOS (FR) 2014-02-27 US disclosed
US-20140031384-A1 THERAPEUTIC AGENT FOR TUMOR EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-01-30 US disclosed
US-8501785-B2 Salts of benzimidazolyl pyridyl ethers and formulations thereof NOVARTIS AG (CH) 2013-08-06 US disclosed
US-20120308651-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF NOVARTIS AG 2012-12-06 US disclosed
US-20110301184-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A MTOR INHIBITOR AND A RAF KINASE INHIBITOR NOVARTIS AG (CH) 2011-12-08 US disclosed
US-20110281917-A1 Substituted Benzimidazoles for the Treatment of Astrocytomas NOVARTIS AG (CH) 2011-11-17 US disclosed
US-20110105521-A1 COMBINATION OF (A) A PHOSPHOINOSITIDE 3-KINASE INHIBITOR AND (B) A MODULATOR OF RAS/RAF/MEK PATHWAY NOVARTIS AG (CH) 2011-05-05 US disclosed
US-20110092546-A1 SUBSTITUTED BENZIMIDAZOLES FOR NEUROFIBROMATOSIS NOVARTIS AG 2011-04-21 US disclosed
WO-2007030377-A1 SUBSTITUTED BENZIMIDAZOLES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-03-15 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 (8 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-20110092546-A1 SUBSTITUTED BENZIMIDAZOLES FOR NEUROFIBROMATOSIS VHL, NISCH, SDHA BRAF 15/4885RAF1 421/4885KDR 538/4885
US-20120308651-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF PIR, BRD8, PHOSPHO1 BRAF 542/4885RAF1 874/4885KDR 2799/4885
US-20140031384-A1 THERAPEUTIC AGENT FOR TUMOR KRAS, TP53, HRAS BRAF 53/4885RAF1 93/4885KDR 1270/4885
US-20110281917-A1 Substituted Benzimidazoles for the Treatment of Astrocytomas IDH1, IDH2, IDH3B BRAF 90/4885RAF1 1135/4885KDR 1130/4885
US-20110105521-A1 COMBINATION OF (A) A PHOSPHOINOSITIDE 3-KINASE INHIBITOR AND (B) A MODULATOR OF RAS/RAF/MEK PATHWAY BRAF, RAF1, NRAS BRAF 1/4885RAF1 2/4885KDR 551/4885
US-20140057904-A1 Combination of (a) a phosphoinositide 3-kinase inhibitor and (b) a modulator of RAS/RAF/MEK pathway BRAF, RAF1, NRAS BRAF 1/4885RAF1 2/4885KDR 551/4885
US-20150105417-A1 Combination of (a) a phosphoinositide 3-kinase inhibitor and (b) a modulator of RAS/RAF/MEK pathway BRAF, RAF1, NRAS BRAF 1/4885RAF1 2/4885KDR 551/4885
US-20110301184-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A MTOR INHIBITOR AND A RAF KINASE INHIBITOR BRAF, RAF1, MTOR BRAF 1/4885RAF1 2/4885KDR 539/4885

“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.