SCHEMBL15217637

SCHEMBL15217637

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.79
ERBB2 P04626 7/20 0.79
KDR P35968 3/20 0.79
FBP1 P09467 2/20 0.79
AURKA O14965 1/20 0.79
INSR P06213 1/20 0.79
PDGFRB P09619 1/20 0.79
FLT4 P35916 1/20 0.79
CLK1 P49759 1/20 0.79
EPHB4 P54760 1/20 0.79
TEK Q02763 1/20 0.79
AURKB Q96GD4 1/20 0.79
HDAC3 O15379 5/20 0.74
HDAC4 P56524 5/20 0.74
HDAC1 Q13547 5/20 0.74
HDAC7 Q8WUI4 5/20 0.74
HDAC2 Q92769 5/20 0.74
HDAC10 Q969S8 5/20 0.74
HDAC11 Q96DB2 5/20 0.74
HDAC8 Q9BY41 5/20 0.74

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
SCHEMBL15217638 0.92 EGFR (0.79) EGFRERBB2KDRFBP1AURKA
SCHEMBL15217643 0.92 EGFR (0.79) EGFRERBB2KDRFBP1AURKA
SCHEMBL907212 0.91 KDR (0.71) EGFRERBB2KDREPHB4AURKB
SCHEMBL20305795 0.91 EGFR (0.74) EGFRERBB2KDRFBP1AURKA
SCHEMBL642542 0.91 HDAC3 (0.83) EGFRERBB2KDRFBP1AURKA
SCHEMBL641952 0.89 EGFR (0.73) EGFRERBB2KDRFBP1AURKA
SCHEMBL2099106 0.89 EGFR (1.00) EGFRERBB2KDRFBP1AURKA
SCHEMBL30505605 0.89 EGFR (1.00) EGFRERBB2KDRFBP1AURKA
Hydrochloric Acid SCHEMBL27887194 0.88 EGFR (0.98) EGFRERBB2KDRFBP1AURKA
SCHEMBL22336753 0.87 FBP1 (0.92) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2634178-B1 QUINAZOLINE DERIVATIVE AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICATION OF TUMOR CELLS AND PREPARATION METHOD THEREOF CHINESE ACAD INST CHEMISTRY (CN) 2016-08-24 EP disclosed
US-9233995-B2 Quinazoline derivatives and quinazoline complex protein kinase inhibitor for inhibiting multiplication of tumor cells and preparation method thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-12 US disclosed
US-9233995-B2 Quinazoline derivatives and quinazoline complex protein kinase inhibitor for inhibiting multiplication of tumor cells and preparation method thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-12 US disclosed
US-20140243239-A1 MULTIPLEXED KINASE INHIBITOR BEADS AND USES THEREOF NIH-DEITR 2014-08-28 US disclosed
EP-2634178-A1 QUINAZOLINE DERIVATIVE AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICATION OF TUMOR CELLS AND PREPARATION METHOD THEREOF Institute Of Chemistry, Chinese Academy Of Sciences (CN) 2013-09-04 EP disclosed
US-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCE (CN) 2013-08-29 US disclosed
US-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCE (CN) 2013-08-29 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-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF MAP3K21, MAP3K15, MAP3K14 EGFR 225/4885ERBB2 115/4885KDR 2894/4885

“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.