SCHEMBL1078076

SCHEMBL1078076

COc1c(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)ccc2C)cc2cnc(N)nc2c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.51
TEK Q02763 3/20 0.50
LCK P06239 2/20 0.50
KDR P35968 2/20 0.49
BRAF P15056 4/20 0.49
JAK3 P52333 1/20 0.49
MAPK14 Q16539 1/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.48
RAF1 P04049 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.46
SRPK1 Q96SB4 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1078914 0.94 TEK (0.57) ALDH1A1TEKLCKKDRBRAF
SCHEMBL1149174 0.93 TEK (0.58) ALDH1A1TEKLCKKDRBRAF
SCHEMBL1078646 0.93 LCK (0.51) TEKLCKKDRBRAFJAK3
SCHEMBL1079124 0.88 LCK (0.48) ALDH1A1HSD17B10GAATEKLCK
SCHEMBL1078594 0.88 BRAF (0.47) ALDH1A1HSD17B10GAATEKLCK
SCHEMBL1079653 0.83 DDR2 (0.51) LCKKDRBRAFJAK3MAPK14
SCHEMBL1077490 0.82 LCK (0.60) TEKLCKKDRBRAFJAK3
SCHEMBL1077386 0.82 KDR (0.53) ALDH1A1TEKLCKKDRBRAF
SCHEMBL1078404 0.82 LCK (0.50) ALDH1A1HSD17B10GAATEKLCK
SCHEMBL1149173 0.81 KDR (0.54) ALDH1A1TEKLCKKDRBRAF

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 ALDH1A1 338/4885HSD17B10 729/4885GAA 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.