SCHEMBL1078594

SCHEMBL1078594

COc1c(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)ccc2C)cc2cnc(N)nc2c1-c1cnn(C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
LCK P06239 3/20 0.47
KDR P35968 3/20 0.47
JAK3 P52333 2/20 0.47
MAPK14 Q16539 2/20 0.47
TEK Q02763 3/20 0.46
RAF1 P04049 6/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1077386 0.94 KDR (0.53) BRAFALDH1A1LCKKDRJAK3
SCHEMBL1149173 0.94 KDR (0.54) BRAFALDH1A1LCKKDRJAK3
SCHEMBL1083503 0.94 LCK (0.48) BRAFLCKKDRJAK3MAPK14
SCHEMBL1079124 0.90 LCK (0.48) BRAFALDH1A1GAALCKKDR
SCHEMBL1078076 0.88 ALDH1A1 (0.51) BRAFALDH1A1GAALCKKDR
SCHEMBL1079547 0.86 KDR (0.55) ALDH1A1LCKKDRJAK3MAPK14
SCHEMBL1077802 0.85 LCK (0.49) BRAFLCKKDRJAK3MAPK14
SCHEMBL1078199 0.84 LCK (0.58) BRAFLCKKDRJAK3MAPK14
SCHEMBL1077857 0.84 LCK (0.58) BRAFLCKKDRJAK3MAPK14
SCHEMBL1080145 0.84 KDR (0.56) BRAFALDH1A1LCKKDRJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2269993-B1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2013-02-27 EP disclosed
US-20110039845-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-02-17 US disclosed
EP-2269993-A1 2-AMINOQUINAZOLINE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2011-01-05 EP 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-20110039845-A1 2-AMINOQUINAZOLINE DERIVATIVE H1-2, H1-3, H1-0 BRAF 2498/4885ALDH1A1 338/4885GAA 3353/4885

“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.