SCHEMBL19220790

SCHEMBL19220790

COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCCN1CCCC1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.81
FGFR1 P11362 11/20 0.81
FLT1 P17948 11/20 0.81
KDR P35968 11/20 0.81
FLT4 P35916 8/20 0.81
RET P07949 4/20 0.69
KIF5B P33176 1/20 0.68

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
SCHEMBL19220780 0.97 EGFR (0.77) EGFRFGFR1FLT1KDRFLT4
SCHEMBL19220768 0.95 KDR (0.82) EGFRFGFR1FLT1KDRFLT4
SCHEMBL17520359 0.91 KDR (0.87) EGFRFGFR1FLT1KDRFLT4
SCHEMBL17520326 0.90 EGFR (0.85) EGFRFGFR1FLT1KDRFLT4
SCHEMBL1468087 0.90 FGFR1 (0.98) EGFRFGFR1FLT1KDRFLT4
Hydrochloric Acid SCHEMBL27218199 0.90 FGFR1 (1.00) EGFRFGFR1FLT1KDRFLT4
Hydrochloric Acid SCHEMBL1467744 0.89 FGFR1 (0.98) EGFRFGFR1FLT1KDRFLT4
SCHEMBL17520350 0.89 KDR (0.82) EGFRFGFR1FLT1KDRFLT4
SCHEMBL15946870 0.87 EGFR (0.65) EGFRFGFR1FLT1KDRFLT4
SCHEMBL15946844 0.87 EGFR (0.65) EGFRFGFR1FLT1KDRFLT4

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 EGFR 3701/4885FGFR1 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.