SCHEMBL19220768

SCHEMBL19220768

COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCN1CCCC1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.82
FGFR1 P11362 11/20 0.82
FLT1 P17948 11/20 0.82
EGFR P00533 11/20 0.74
FLT4 P35916 8/20 0.74
RET P07949 3/20 0.69
EPHA2 P29317 2/20 0.64
EPHB4 P54760 2/20 0.64

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
SCHEMBL19220790 0.95 EGFR (0.81) KDRFGFR1FLT1EGFRFLT4
SCHEMBL19220780 0.95 EGFR (0.77) KDRFGFR1FLT1EGFRFLT4
SCHEMBL17520347 0.91 KDR (0.82) KDRFGFR1FLT1EGFRFLT4
SCHEMBL1467348 0.90 FLT1 (1.00) KDRFGFR1FLT1EGFRFLT4
SCHEMBL17520359 0.86 KDR (0.87) KDRFGFR1FLT1EGFRFLT4
SCHEMBL1468087 0.86 FGFR1 (0.98) KDRFGFR1FLT1EGFRFLT4
SCHEMBL17520350 0.86 KDR (0.82) KDRFGFR1FLT1EGFRFLT4
SCHEMBL17520326 0.86 EGFR (0.85) KDRFGFR1FLT1EGFRFLT4
SCHEMBL7865988 0.86 KDR (0.80) KDRFGFR1FLT1EGFRFLT4
SCHEMBL1467339 0.85 FLT1 (0.90) KDRFGFR1FLT1EGFRFLT4

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-20170226099-A1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-08-10 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-20170226099-A1 QUINAZOLINE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 KDR 3669/4885FGFR1 4724/4885FLT1 4472/4885

“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.