SCHEMBL362314

SCHEMBL362314

Clc1ncnc2cc3c(cc12)OCCOCCOCCO3

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.55
GAK O14976 1/20 0.46
RIPK2 O43353 1/20 0.46
BUB1 O43683 1/20 0.46
STK10 O94804 1/20 0.46
CARS1 P49589 1/20 0.46
MAP3K1 Q13233 1/20 0.46
PIP4K2C Q8TBX8 1/20 0.46
SLK Q9H2G2 1/20 0.46

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
SCHEMBL20826081 1.00 EGFR (0.55) EGFRGAKRIPK2BUB1STK10
SCHEMBL1012990 0.95 EGFR (0.52) EGFR
SCHEMBL31004058 0.95 EGFR (0.52) EGFR
SCHEMBL20865361 0.88 EGFR (0.48) EGFR
SCHEMBL367950 0.84 PDE5A (0.48) EGFR
SCHEMBL29589537 0.84 PDE5A (0.48) EGFR
Hydrochloric Acid SCHEMBL8808443 0.83 PDE5A (0.47) EGFR
SCHEMBL24332725 0.80 EGFR (0.49) EGFRGAKRIPK2BUB1STK10
SCHEMBL16253984 0.80 EGFR (0.49) EGFRGAKRIPK2BUB1STK10
SCHEMBL15996428 0.75 EGFR (0.49) EGFRGAKRIPK2BUB1STK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021017996-A1 PHENYLPIPERAZINE QUINAZOLINE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 暨南大学 2021-02-04 WO disclosed
EP-2593462-B1 NOVEL FUSED HETEROCYCLIC DERIVATIVES USEFUL AS C-MET TYROSINE KINASE INHIBITORS BETTA PHARMACEUTICALS CO LTD (CN) 2016-09-07 EP disclosed
US-9359370-B2 Icotinib hydrochloride, synthesis, crystalline forms, pharmaceutical compositions, and uses thereof BETA PHARMA, INC. (US) 2016-06-07 US disclosed
US-9359370-B2 Icotinib hydrochloride, synthesis, crystalline forms, pharmaceutical compositions, and uses thereof BETA PHARMA, INC. (US) 2016-06-07 US disclosed
EP-2392576-B1 ICOTINIB HYDROCHLORIDE, SYNTHESIS, CRYSTALLOGRAPHIC FORM, MEDICAL COMBINATION, AND USES THEREOF BETA PHARMA INC (US) 2016-02-17 EP disclosed
US-9242991-B2 Substituted fused heterocycles as c-Met tyrosine kinase inhibitors BETTA PHARMACEUTICALS CO., LTD (CN) 2016-01-26 US disclosed
US-20140343082-A1 ICOTINIB HYDROCHLORIDE, SYNTHESIS, CRYSTALLINE FORMS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BETA PHARMA, INC. 2014-11-20 US disclosed
US-20140343082-A1 ICOTINIB HYDROCHLORIDE, SYNTHESIS, CRYSTALLINE FORMS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BETA PHARMA, INC. 2014-11-20 US disclosed
US-8822482-B2 Icotinib hydrochloride, synthesis, crystalline forms, pharmaceutical compositions, and uses thereof BETA PHARMA, INC. (US) 2014-09-02 US disclosed
US-8822482-B2 Icotinib hydrochloride, synthesis, crystalline forms, pharmaceutical compositions, and uses thereof BETA PHARMA, INC. (US) 2014-09-02 US disclosed
EP-2593462-A1 NOVEL FUSED HETEROCYCLIC DERIVATIVES USEFUL AS c-MET TYROSINE KINASE INHIBITORS Zhejiang Beta Pharma Inc. (CN) 2013-05-22 EP disclosed
US-20130123286-A1 Novel Fused Heterocyclic Derivatives Useful as c-Met Tyrosine Kinase Inhibitors BETTA PHARMACEUTICALS CO., LTD. (CN) 2013-05-16 US disclosed
WO-2012006960-A1 NOVEL FUSED HETEROCYCLIC DERIVATIVES USEFUL AS c-MET TYROSINE KINASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO disclosed
EP-2392576-A1 ICOTINIB HYDROCHLORIDE, SYNTHESIS, CRYSTALLOGRAPHIC FORM, MEDICAL COMBINATION, AND USES THEREOF Beta Pharma, Inc. (US) 2011-12-07 EP disclosed
US-20110182882-A1 Icotinib Hydrochloride, Synthesis, Crystalline Forms, Pharmaceutical Compositions, and Uses Thereof BETA PHARMA, INC. (US) 2011-07-28 US disclosed
US-20110182882-A1 Icotinib Hydrochloride, Synthesis, Crystalline Forms, Pharmaceutical Compositions, and Uses Thereof BETA PHARMA, INC. (US) 2011-07-28 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 (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-20140343082-A1 ICOTINIB HYDROCHLORIDE, SYNTHESIS, CRYSTALLINE FORMS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF ABL1, EGFR, ERBB2 EGFR 2/4885GAK 168/4885RIPK2 879/4885
US-20110182882-A1 Icotinib Hydrochloride, Synthesis, Crystalline Forms, Pharmaceutical Compositions, and Uses Thereof ABL1, EGFR, ERBB2 EGFR 2/4885GAK 168/4885RIPK2 879/4885
US-20130123286-A1 Novel Fused Heterocyclic Derivatives Useful as c-Met Tyrosine Kinase Inhibitors MET, RET, ABL1 EGFR 30/4885GAK 404/4885RIPK2 1359/4885

“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.