SCHEMBL1077797

SCHEMBL1077797

COC(=O)Nc1ncc2cc(-c3cc(C(=O)Nc4cc(C(F)(F)F)ccn4)ccc3C)c(O)c(-c3ccc(F)nc3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.42
BRAF P15056 6/20 0.42
LCK P06239 3/20 0.41
KDR P35968 3/20 0.41
JAK3 P52333 3/20 0.41
MAPK14 Q16539 3/20 0.41
TEK Q02763 2/20 0.41
SYK P43405 1/20 0.40
ABL1 P00519 4/20 0.39
SRC P12931 1/20 0.38

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
SCHEMBL1077186 0.90 ABL1 (0.47) BTKBRAFLCKABL1SRC
SCHEMBL1077238 0.90 BTK (0.42) BTKBRAFLCKKDRJAK3
SCHEMBL1076926 0.90 LCK (0.48) BTKBRAFLCKKDRJAK3
SCHEMBL1077383 0.89 KDR (0.54) BTKBRAFLCKKDRJAK3
SCHEMBL1078150 0.84 LCK (0.47) BTKBRAFLCKKDRJAK3
SCHEMBL1079625 0.82 ABL1 (0.46) BRAFABL1
SCHEMBL1079336 0.82 LCK (0.49) BTKBRAFLCKKDRJAK3
SCHEMBL1079743 0.82 BRAF (0.42) BTKBRAFLCKKDRJAK3
SCHEMBL1077657 0.82 MAPK14 (0.47) BTKBRAFLCKKDRJAK3
SCHEMBL1083158 0.82 LCK (0.50) BTKBRAFLCKKDRJAK3

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 BTK 1837/4885BRAF 2498/4885LCK 3187/4885

“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.