SCHEMBL5843772

SCHEMBL5843772

Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.69
FBP1 P09467 2/20 0.68
ERBB2 P04626 2/20 0.68
KDR P35968 2/20 0.68
AURKA O14965 1/20 0.68
INSR P06213 1/20 0.68
PDGFRB P09619 1/20 0.68
FLT4 P35916 1/20 0.68
CLK1 P49759 1/20 0.68
EPHB4 P54760 1/20 0.68
TEK Q02763 1/20 0.68
AURKB Q96GD4 1/20 0.68
GRM1 Q13255 1/20 0.66
RAF1 P04049 1/20 0.63
BRAF P15056 1/20 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
SCHEMBL18633104 0.90 EGFR (0.70) EGFRFBP1ERBB2KDRAURKA
SCHEMBL12788062 0.90 EGFR (0.66) EGFRFBP1ERBB2KDRAURKA
SCHEMBL19631509 0.88 EGFR (0.64) EGFRFBP1ERBB2KDRAURKA
SCHEMBL28403915 0.88 EGFR (0.74) EGFRFBP1ERBB2KDRAURKA
SCHEMBL30124192 0.87 EGFR (0.83) EGFRFBP1ERBB2KDRAURKA
SCHEMBL8383 0.87 EGFR (0.83) EGFRFBP1ERBB2KDRAURKA
SCHEMBL29679736 0.87 EGFR (0.83) EGFRFBP1ERBB2KDRAURKA
SCHEMBL3238800 0.87 EGFR (0.83) EGFRFBP1ERBB2KDRAURKA
Hydrochloric Acid SCHEMBL28040041 0.86 EGFR (0.81) EGFRFBP1ERBB2KDRAURKA
SCHEMBL641359 0.86 EGFR (0.75) EGFRFBP1ERBB2KDRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 US disclosed
US-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 US disclosed
US-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 US disclosed
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
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
WO-2016123706-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2016-08-11 WO disclosed
WO-2016123706-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2016-08-11 WO 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-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
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
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
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
CN-102452988-A Quinazoline derivative and preparation method thereof CHINESE ACAD INST CHEMISTRY 2012-05-16 CN disclosed
US-7078409-B2 Fused quinazoline derivatives useful as tyrosine kinase inhibitors BETA PHARMA, INC. (US) 2006-07-18 US disclosed
US-20040048883-A1 Novel fused quinazoline derivatives useful as tyrosine kinase inhibitors BETA PHARMA, INC. 2004-03-11 US disclosed
WO-2003082830-A1 NOVEL FUSED QUINAZOLINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS BETA PHARMA, INC. (US) 2003-10-09 WO 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 (3 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-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS EGFR, ERBB2, ERBB4 EGFR 1/4885FBP1 213/4885ERBB2 2/4885
US-20040048883-A1 Novel fused quinazoline derivatives useful as tyrosine kinase inhibitors ABL1, ERBB2, CNKSR1 EGFR 82/4885FBP1 2723/4885ERBB2 2/4885
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 225/4885FBP1 2926/4885ERBB2 115/4885

“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.