SCHEMBL9948680

SCHEMBL9948680

CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CP(=O)(OCC)OCC

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.80
ERBB2 P04626 3/20 0.69
ERBB4 Q15303 1/20 0.69
FBP1 P09467 1/20 0.65
HDAC3 O15379 4/20 0.63
HDAC4 P56524 4/20 0.63
HDAC1 Q13547 4/20 0.63
HDAC7 Q8WUI4 4/20 0.63
HDAC2 Q92769 4/20 0.63
HDAC10 Q969S8 4/20 0.63
HDAC11 Q96DB2 4/20 0.63
HDAC8 Q9BY41 4/20 0.63
HDAC6 Q9UBN7 4/20 0.63
HDAC9 Q9UKV0 4/20 0.63
HDAC5 Q9UQL6 4/20 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
SCHEMBL9948576 0.94 HDAC3 (0.73) EGFRERBB2ERBB4HDAC3HDAC4
SCHEMBL21620272 0.92 EGFR (0.68) EGFRERBB2ERBB4FBP1HDAC3
SCHEMBL1417948 0.92 EGFR (0.67) EGFRERBB2ERBB4HDAC3HDAC4
SCHEMBL13973714 0.91 EGFR (0.65) EGFRERBB2ERBB4FBP1HDAC3
SCHEMBL10080590 0.91 EGFR (0.65) EGFRERBB2ERBB4FBP1HDAC3
SCHEMBL5375309 0.89 EGFR (0.64) EGFRERBB2ERBB4HDAC3HDAC4
SCHEMBL15932944 0.89 EGFR (0.67) EGFRERBB2ERBB4HDAC3HDAC4
SCHEMBL25859436 0.89 EGFR (0.90) EGFRERBB2ERBB4FBP1HDAC3
SCHEMBL16693868 0.87 EGFR (0.67) EGFRERBB2ERBB4FBP1HDAC3
SCHEMBL18660066 0.87 EGFR (0.86) EGFRERBB2ERBB4FBP1HDAC3

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 12 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
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 EGFR 3299/4885ERBB2 851/4885ERBB4 1117/4885
US-20150126550-A1 PHARMACEUTICAL USES OF 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES PYGL, CSNK1G3, G6PD EGFR 2980/4885ERBB2 901/4885ERBB4 1312/4885

“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.