SCHEMBL16506752

SCHEMBL16506752

O=C(Nc1ccc(Oc2ccc3ncc(CN4CCOCC4)nc3c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.62
MAPK14 Q16539 1/20 0.62
RAF1 P04049 8/20 0.61
KDR P35968 5/20 0.55
RET P07949 1/20 0.55
CDK8 P49336 2/20 0.53
ABL1 P00519 3/20 0.51
SRC P12931 3/20 0.51
FGFR1 P11362 1/20 0.51

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
SCHEMBL15140869 0.95 RAF1 (0.58) BRAFMAPK14RAF1KDRRET
SCHEMBL15148079 0.94 RAF1 (0.56) BRAFMAPK14RAF1KDRRET
SCHEMBL15147778 0.94 RAF1 (0.56) BRAFMAPK14RAF1KDRRET
SCHEMBL15140801 0.93 RAF1 (0.56) BRAFMAPK14RAF1KDRRET
SCHEMBL15141391 0.92 BRAF (0.56) BRAFMAPK14RAF1KDRRET
SCHEMBL16507482 0.92 BRAF (0.56) BRAFMAPK14RAF1KDRRET
SCHEMBL15141491 0.91 RAF1 (0.56) BRAFMAPK14RAF1KDRCDK8
SCHEMBL15141152 0.91 RAF1 (0.54) BRAFMAPK14RAF1KDRRET
SCHEMBL15140712 0.91 SRC (0.63) BRAFMAPK14RAF1KDRRET
SCHEMBL16507262 0.91 CDK8 (0.53) BRAFMAPK14RAF1KDRRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2806874-B1 Quinoxaline-oxy-phenyl derivatives as kinase inhibitors NEUPHARMA INC (US) 2017-11-15 EP claimed
US-9670180-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2017-06-06 US claimed
US-20150057277-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-02-26 US claimed
US-10590106-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-03-17 US disclosed
US-9908866-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2018-03-06 US disclosed
EP-2806874-B1 Quinoxaline-oxy-phenyl derivatives as kinase inhibitors NEUPHARMA INC (US) 2017-11-15 EP disclosed
US-20170283395-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-10-05 US disclosed
US-9670180-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2017-06-06 US disclosed
US-20150057277-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-02-26 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 (3 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-10590106-B2 Certain chemical entities, compositions, and methods PDXK, DCK, CHEK1 BRAF 15/4885MAPK14 950/4885RAF1 46/4885
US-20150057277-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS PDXK, DCK, CHEK1 BRAF 15/4885MAPK14 950/4885RAF1 46/4885
US-20170283395-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS PDXK, DCK, CHEK1 BRAF 15/4885MAPK14 950/4885RAF1 46/4885

“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.