SCHEMBL1078341

SCHEMBL1078341

COc1c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cc2cnc(NCCN3CCOCC3)nc2c1Br

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.70
MAPK14 Q16539 5/20 0.70
KDR P35968 4/20 0.70
JAK3 P52333 3/20 0.70
SRC P12931 1/20 0.70
TYK2 P29597 1/20 0.70
SYK P43405 1/20 0.70
MAPK8 P45983 1/20 0.70
MAPK9 P45984 1/20 0.70
MAPK10 P53779 1/20 0.70
BTK Q06187 1/20 0.70
RIPK1 Q13546 1/20 0.55
RIPK3 Q9Y572 1/20 0.55
BRAF P15056 10/20 0.52
RAF1 P04049 9/20 0.52
FGFR1 P11362 1/20 0.49
DDR2 Q16832 1/20 0.49

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
SCHEMBL1079493 0.85 LCK (0.53) LCKMAPK14KDRJAK3SRC
SCHEMBL1149165 0.84 LCK (0.64) LCKMAPK14KDRJAK3SYK
SCHEMBL13219903 0.83 LCK (0.81) LCKMAPK14KDRJAK3SRC
SCHEMBL1148664 0.82 LCK (0.53) LCKMAPK14KDRJAK3SRC
SCHEMBL29381253 0.82 LCK (1.00) LCKMAPK14KDRJAK3SRC
SCHEMBL5490450 0.82 LCK (1.00) LCKMAPK14KDRJAK3SRC
SCHEMBL1078974 0.82 LCK (0.61) LCKMAPK14KDRJAK3SRC
SCHEMBL1148513 0.82 DDR2 (0.59) LCKMAPK14KDRJAK3SRC
SCHEMBL31003528 0.81 LCK (0.68) LCKMAPK14KDRJAK3SRC
SCHEMBL1079653 0.80 DDR2 (0.51) LCKMAPK14KDRJAK3SRC

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 3187/4885MAPK14 2338/4885KDR 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.