SCHEMBL14353338

SCHEMBL14353338

COc1ccc2c(Nc3cccc(Cl)c3F)nc(OCCC3CCN(C)CC3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.53
▸ KDR P35968 6/20 0.45
▸ FGFR1 P11362 2/20 0.45
▸ FLT1 P17948 2/20 0.45
▸ FLT4 P35916 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ SRC P12931 4/20 0.43
▸ EPHA2 P29317 1/20 0.43
▸ EPHB4 P54760 1/20 0.43
▸ PIK3CG P48736 2/20 0.41
▸ DRD2 P14416 1/20 0.41

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
SCHEMBL4156430 0.83 EGFR (0.61) EGFRKDRFGFR1FLT1FLT4
SCHEMBL6365282 0.81 EGFR (0.47) EGFRKDRFGFR1FLT1FLT4
SCHEMBL3136293 0.76 EGFR (0.85) EGFRKDRFGFR1FLT1FLT4
SCHEMBL30777150 0.72 EGFR (0.38) EGFRKDRERBB2SRCEPHA2
SCHEMBL20355385 0.72 EGFR (0.60) EGFRKDRFLT1KCNH2ERBB2
SCHEMBL5411253 0.69 KDR (0.61) EGFRKDRFGFR1FLT1FLT4
SCHEMBL3132716 0.69 EGFR (1.00) EGFRKDRFGFR1FLT1FLT4
Hydrochloric Acid SCHEMBL6462110 0.69 KDR (0.62) EGFRKDRFGFR1FLT1FLT4
SCHEMBL5040071 0.68 EGFR (0.61) EGFRKDRFLT1FLT4KCNH2
SCHEMBL4700053 0.68 EGFR (0.46) EGFRERBB2EPHA2EPHB4

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-20130005727-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2013-01-03 — — 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-20130005727-A1 QUINAZOLINE DERIVATIVES ABL1, ERBB2, EGFR EGFR 3/4885KDR 188/4885FGFR1 133/4885

“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.

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