SCHEMBL1078749

SCHEMBL1078749

COc1c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cc2cnc(N)nc2c1-c1ccc(N2CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.55
LCK P06239 5/20 0.55
MAPK14 Q16539 4/20 0.55
JAK3 P52333 3/20 0.55
TEK Q02763 3/20 0.55
BRAF P15056 12/20 0.52
RAF1 P04049 10/20 0.52
PDGFRB P09619 1/20 0.48
DDR2 Q16832 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
NOD2 Q9HC29 1/20 0.46
KIT P10721 1/20 0.46

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
SCHEMBL1078464 0.93 RAF1 (0.61) KDRLCKMAPK14JAK3TEK
SCHEMBL1079341 0.92 BRAF (0.57) KDRLCKMAPK14JAK3TEK
SCHEMBL1148793 0.88 LCK (0.62) KDRLCKMAPK14JAK3TEK
SCHEMBL1149456 0.88 LCK (0.62) KDRLCKMAPK14JAK3TEK
SCHEMBL1080552 0.87 LCK (0.64) KDRLCKMAPK14JAK3TEK
SCHEMBL1077187 0.87 LCK (0.61) KDRLCKMAPK14JAK3TEK
SCHEMBL1077470 0.87 LCK (0.61) KDRLCKMAPK14JAK3TEK
SCHEMBL1078032 0.86 KDR (0.56) KDRLCKMAPK14JAK3TEK
SCHEMBL1079022 0.86 LCK (0.58) KDRLCKMAPK14JAK3TEK
SCHEMBL1077177 0.85 LCK (0.61) KDRLCKMAPK14JAK3TEK

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 KDR 896/4885LCK 3187/4885MAPK14 2338/4885

“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.