SCHEMBL1149359

SCHEMBL1149359

COc1c(-c2cc(C(=O)Nc3cc(-n4ccnc4)cc(C(F)(F)F)c3)ccc2C)cc2cnc(N)nc2c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.53
BCR P11274 5/20 0.51
BRAF P15056 2/20 0.48
SRC P12931 2/20 0.47
NR2E1 Q9Y466 1/20 0.47
MAPK14 Q16539 4/20 0.45
KDR P35968 3/20 0.45
LCK P06239 3/20 0.45
TEK Q02763 3/20 0.45
JAK3 P52333 2/20 0.45
MAP3K20 Q9NYL2 2/20 0.44
LDLR P01130 2/20 0.42
KIT P10721 2/20 0.42
PCSK9 Q8NBP7 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
NR1I2 O75469 1/20 0.42
PTGS1 P23219 1/20 0.42
CHRNA4 P43681 1/20 0.42
PDE3A Q14432 1/20 0.42
EPHB2 P29323 2/20 0.42

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
SCHEMBL1078917 0.90 ABL1 (0.58) ABL1BCRBRAFSRCNR2E1
SCHEMBL1078714 0.81 LCK (0.63) ABL1BRAFSRCMAPK14KDR
SCHEMBL1078661 0.81 LCK (0.47) ABL1BRAFSRCMAPK14KDR
SCHEMBL1075954 0.81 BRAF (0.55) BRAFKITDDR1DDR2
SCHEMBL1082660 0.80 DDR2 (0.60) ABL1BCRBRAFSRCKIT
SCHEMBL13771827 0.80 ABL1 (0.56) ABL1BCRBRAFSRCMAPK14
SCHEMBL1079653 0.79 DDR2 (0.51) ABL1BRAFSRCMAPK14KDR
SCHEMBL1149056 0.79 LCK (0.42) ABL1BRAFMAPK14KDRLCK
SCHEMBL1076129 0.78 RAF1 (0.51) BRAFMAPK14KDRLCKTEK
SCHEMBL1080474 0.78 ABL1 (0.54) ABL1BCRBRAFSRCNR2E1

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 2 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

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 ABL1 47/4885BCR 3233/4885BRAF 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.