SCHEMBL12846249

SCHEMBL12846249

COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1N

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.64
▸ KDR P35968 8/20 0.64
▸ RET P07949 4/20 0.64
▸ KIF5B P33176 3/20 0.64
▸ FBP1 P09467 2/20 0.64
▸ CLK1 P49759 2/20 0.64
▸ AURKA O14965 1/20 0.64
▸ ERBB2 P04626 1/20 0.64
▸ INSR P06213 1/20 0.64
▸ PDGFRB P09619 1/20 0.64
▸ FLT4 P35916 1/20 0.64
▸ EPHB4 P54760 1/20 0.64
▸ TEK Q02763 1/20 0.64
▸ AURKB Q96GD4 1/20 0.64
▸ RIPK2 O43353 1/20 0.64
▸ NOD1 Q9Y239 1/20 0.64
▸ ABCG2 Q9UNQ0 1/20 0.59
▸ LCK P06239 3/20 0.58
▸ FLT1 P17948 1/20 0.57

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
SCHEMBL10080593 0.89 FBP1 (0.65) EGFRKDRRETKIF5BFBP1
SCHEMBL10081608 0.88 EGFR (0.62) EGFRKDRRETKIF5BFBP1
SCHEMBL26876 0.88 EGFR (0.83) EGFRKDRFBP1CLK1AURKA
SCHEMBL29362232 0.88 EGFR (0.83) EGFRKDRFBP1CLK1AURKA
Hydrochloric Acid SCHEMBL28101874 0.87 EGFR (0.81) EGFRKDRFBP1CLK1AURKA
Water SCHEMBL28549003 0.87 EGFR (0.81) EGFRKDRFBP1CLK1AURKA
SCHEMBL18862763 0.85 EGFR (0.60) EGFRKDRRETKIF5BFBP1
SCHEMBL25707230 0.85 RET (0.68) EGFRKDRRETKIF5BFBP1
SCHEMBL6792594 0.85 EGFR (0.74) EGFRKDRRETKIF5BFBP1
SCHEMBL19220799 0.84 KDR (0.73) EGFRKDRRETKIF5BFBP1

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-20110053963-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CAI XIONG 2011-03-03 — — 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-20110053963-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 EGFR 1/4885KDR 321/4885RET 27/4885

“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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