SCHEMBL1149174

SCHEMBL1149174

COc1c(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)ccc2C)cc2cnc(N)nc2c1Br

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.58
LCK P06239 5/20 0.58
KDR P35968 9/20 0.57
JAK3 P52333 2/20 0.57
MAPK14 Q16539 2/20 0.57
MAPT P10636 2/20 0.51
SRPK2 P78362 1/20 0.48
SRPK1 Q96SB4 1/20 0.48
SRPK3 Q9UPE1 1/20 0.48
BRAF P15056 2/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1078914 0.99 TEK (0.57) TEKLCKKDRJAK3MAPK14
SCHEMBL1078646 0.94 LCK (0.51) TEKLCKKDRJAK3MAPK14
SCHEMBL1078076 0.93 ALDH1A1 (0.51) TEKLCKKDRJAK3MAPK14
SCHEMBL1080145 0.88 KDR (0.56) TEKLCKKDRJAK3MAPK14
SCHEMBL1149173 0.88 KDR (0.54) TEKLCKKDRJAK3MAPK14
SCHEMBL1077386 0.87 KDR (0.53) TEKLCKKDRJAK3MAPK14
SCHEMBL1077490 0.83 LCK (0.60) TEKLCKKDRJAK3MAPK14
SCHEMBL1083503 0.82 LCK (0.48) TEKLCKKDRJAK3MAPK14
SCHEMBL1078661 0.82 LCK (0.47) TEKLCKKDRJAK3MAPK14
SCHEMBL1075954 0.81 BRAF (0.55) BRAF

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TEK 2366/4885LCK 3187/4885KDR 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.