SCHEMBL1078646

SCHEMBL1078646

COc1c(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCN(C)CC3)ccc2C)cc2cnc(N)nc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.51
TEK Q02763 5/20 0.51
KDR P35968 5/20 0.49
JAK3 P52333 3/20 0.49
MAPK14 Q16539 3/20 0.49
BRAF P15056 7/20 0.47
TP53 P04637 1/20 0.45
SRPK1 Q96SB4 2/20 0.44
MAPT P10636 1/20 0.44
SRC P12931 1/20 0.44
TYK2 P29597 1/20 0.44
SYK P43405 1/20 0.44
BTK Q06187 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
SCHEMBL1078914 0.94 TEK (0.57) LCKTEKKDRJAK3MAPK14
SCHEMBL1149174 0.94 TEK (0.58) LCKTEKKDRJAK3MAPK14
SCHEMBL1078076 0.93 ALDH1A1 (0.51) LCKTEKKDRJAK3MAPK14
SCHEMBL1083503 0.88 LCK (0.48) LCKTEKKDRJAK3MAPK14
SCHEMBL1077490 0.87 LCK (0.60) LCKTEKKDRJAK3MAPK14
SCHEMBL1077386 0.83 KDR (0.53) LCKTEKKDRJAK3MAPK14
SCHEMBL1149173 0.83 KDR (0.54) LCKTEKKDRJAK3MAPK14
SCHEMBL1082660 0.82 DDR2 (0.60) BRAFSRC
SCHEMBL1078594 0.82 BRAF (0.47) LCKTEKKDRJAK3MAPK14
SCHEMBL1077802 0.82 LCK (0.49) LCKTEKKDRJAK3MAPK14

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 LCK 3187/4885TEK 2366/4885KDR 896/4885

“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.