SCHEMBL9949241

SCHEMBL9949241

CCOP(=O)(CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1)OCC

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.74
EGFR P00533 14/20 0.74
LCK P06239 1/20 0.74
AURKA O14965 1/20 0.55
RPS6KB1 P23443 1/20 0.55
KCNH2 Q12809 3/20 0.52
ERBB3 P21860 1/20 0.52
ERBB4 Q15303 1/20 0.52

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
SCHEMBL10080877 0.92 EGFR (0.61) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL11902491 0.91 ERBB2 (0.63) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL22967949 0.87 ERBB2 (0.57) ERBB2EGFRLCKKCNH2
SCHEMBL2249176 0.85 ERBB2 (0.79) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL2251397 0.84 ERBB2 (0.79) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL16693868 0.83 EGFR (0.67) ERBB2EGFRERBB4
SCHEMBL7236445 0.81 EGFR (0.81) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL2253000 0.81 EGFR (0.73) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL2322666 0.80 ERBB2 (0.77) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL28768471 0.80 ERBB2 (0.77) ERBB2EGFRLCKAURKARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479174-B1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2017-10-18 EP disclosed
EP-2479174-B1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2017-10-18 EP disclosed
US-9358227-B2 Pharmaceutical uses of 6-amino quinazoline or 3-cyano quinoline derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-07 US disclosed
US-9358227-B2 Pharmaceutical uses of 6-amino quinazoline or 3-cyano quinoline derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-07 US disclosed
US-20150126550-A1 PHARMACEUTICAL USES OF 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2015-05-07 US disclosed
US-20150126550-A1 PHARMACEUTICAL USES OF 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2015-05-07 US disclosed
US-8901140-B2 6-amino quinazoline or 3-cyano quinoline derivatives, preparation methods and pharmaceutical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-12-02 US disclosed
US-8901140-B2 6-amino quinazoline or 3-cyano quinoline derivatives, preparation methods and pharmaceutical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-12-02 US disclosed
EP-2479174-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-07-25 EP disclosed
EP-2479174-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-07-25 EP disclosed
US-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 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 (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-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF CSNK1G3, CSNK1A1, CSNK1A1L ERBB2 851/4885EGFR 3299/4885LCK 1153/4885
US-20150126550-A1 PHARMACEUTICAL USES OF 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES PYGL, CSNK1G3, G6PD ERBB2 901/4885EGFR 2980/4885LCK 1081/4885

“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.