SCHEMBL1079653

SCHEMBL1079653

COc1c(-c2cc(C(=O)Nc3cc(CN4CCOCC4)cc(C(F)(F)F)c3)ccc2C)cc2cnc(N)nc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 7/20 0.51
DDR1 Q08345 3/20 0.51
BRAF P15056 11/20 0.49
RET P07949 1/20 0.46
RAF1 P04049 1/20 0.46
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
SRC P12931 1/20 0.45
TYK2 P29597 1/20 0.45
KDR P35968 1/20 0.45
SYK P43405 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
JAK3 P52333 1/20 0.45
MAPK10 P53779 1/20 0.45
BTK Q06187 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL1075954 0.94 BRAF (0.55) DDR2DDR1BRAF
SCHEMBL1082660 0.93 DDR2 (0.60) DDR2DDR1BRAFRETABL1
SCHEMBL1078076 0.83 ALDH1A1 (0.51) BRAFRAF1LCKKDRJAK3
SCHEMBL1077356 0.83 DDR2 (0.53) DDR2DDR1BRAFRETRAF1
SCHEMBL13219956 0.82 DDR2 (0.61) DDR2DDR1BRAFRETRAF1
SCHEMBL1149206 0.80 EGFR (0.63) BRAFRETABL1SRCKDR
SCHEMBL1078341 0.80 LCK (0.70) DDR2BRAFRAF1LCKSRC
SCHEMBL1078917 0.80 ABL1 (0.58) BRAFRAF1ABL1SRCMAPK14
SCHEMBL1149359 0.79 ABL1 (0.53) DDR2DDR1BRAFRETRAF1
SCHEMBL13772007 0.78 DDR2 (0.56) DDR2DDR1BRAFRETRAF1

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 DDR2 2179/4885DDR1 4042/4885BRAF 2498/4885

“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.