SCHEMBL13006602

SCHEMBL13006602

[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(C)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.71
ERBB2 P04626 8/20 0.71
KDR P35968 3/20 0.71
FBP1 P09467 2/20 0.71
AURKA O14965 1/20 0.71
INSR P06213 1/20 0.71
PDGFRB P09619 1/20 0.71
FLT4 P35916 1/20 0.71
CLK1 P49759 1/20 0.71
EPHB4 P54760 1/20 0.71
TEK Q02763 1/20 0.71
AURKB Q96GD4 1/20 0.71
HDAC3 O15379 5/20 0.63
HDAC4 P56524 5/20 0.63
HDAC1 Q13547 5/20 0.63
HDAC7 Q8WUI4 5/20 0.63
HDAC2 Q92769 5/20 0.63
HDAC10 Q969S8 5/20 0.63
HDAC11 Q96DB2 5/20 0.63
HDAC8 Q9BY41 5/20 0.63

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
Hydrochloric Acid SCHEMBL3722776 0.99 EGFR (0.70) EGFRERBB2KDRFBP1AURKA
SCHEMBL30968994 0.93 EGFR (0.82) EGFRERBB2KDRFBP1AURKA
SCHEMBL3328655 0.93 EGFR (0.82) EGFRERBB2KDRFBP1AURKA
Hydrochloric Acid SCHEMBL641764 0.92 EGFR (0.80) EGFRERBB2KDRFBP1AURKA
SCHEMBL18660020 0.88 EGFR (0.83) EGFRERBB2KDRFBP1AURKA
SCHEMBL14049655 0.87 EGFR (0.67) EGFRERBB2KDRFBP1AURKA
SCHEMBL14515605 0.85 EGFR (0.69) EGFRERBB2KDRFBP1AURKA
SCHEMBL13006609 0.85 EGFR (0.71) EGFRERBB2KDRFBP1AURKA
SCHEMBL30639946 0.85 EGFR (0.77) EGFRERBB2KDRFBP1AURKA
SCHEMBL4230302 0.84 EGFR (0.67) EGFRERBB2KDRFBP1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855204-B2 Derivatives of gefitinib CONCERT PHARMACEUTICALS INC. (US) 2010-12-21 US disclosed
US-20100143295-A1 QUINAZOLINE INHIBITORS OF EGFR TYROSINE KINASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-10 US disclosed
US-20090185999-A1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC. (US) 2009-07-23 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 (2 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-20090185999-A1 DERIVATIVES OF GEFITINIB ABL1, EGFR, ERBB2 EGFR 2/4885ERBB2 3/4885KDR 108/4885
US-20100143295-A1 QUINAZOLINE INHIBITORS OF EGFR TYROSINE KINASE EGFR, ABL1, ERBB2 EGFR 1/4885ERBB2 3/4885KDR 82/4885

“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.