SCHEMBL1076129

SCHEMBL1076129

COc1c(-c2cc(NC(=O)c3cc(C(F)(F)F)ccn3)ccc2C)cc2cnc(N)nc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.51
BRAF P15056 11/20 0.51
KDR P35968 4/20 0.47
MAPK14 Q16539 4/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
LCK P06239 3/20 0.47
JAK3 P52333 3/20 0.47
TEK Q02763 3/20 0.47

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
SCHEMBL1078714 0.87 LCK (0.63) RAF1BRAFKDRMAPK14LCK
SCHEMBL1149390 0.87 LCK (0.47) KDRMAPK14LCKJAK3TEK
SCHEMBL1078661 0.84 LCK (0.47) BRAFKDRMAPK14LCKJAK3
SCHEMBL1149056 0.78 LCK (0.42) RAF1BRAFKDRMAPK14LCK
SCHEMBL1149359 0.78 ABL1 (0.53) RAF1BRAFKDRMAPK14MAPK11
SCHEMBL1078560 0.78 LCK (0.61) RAF1BRAFKDRMAPK14LCK
SCHEMBL1149695 0.77 LCK (0.46) RAF1BRAFKDRMAPK14LCK
SCHEMBL1076598 0.77 LCK (0.60) RAF1BRAFKDRMAPK14LCK
SCHEMBL1149752 0.77 LCK (0.64) RAF1BRAFKDRMAPK14LCK
SCHEMBL1149100 0.76 LCK (0.63) RAF1BRAFKDRMAPK14LCK

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 RAF1 781/4885BRAF 2498/4885KDR 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.