SCHEMBL9948576

SCHEMBL9948576

CCOP(=O)(CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOC)OCC

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.73
HDAC4 P56524 5/20 0.73
HDAC1 Q13547 5/20 0.73
HDAC7 Q8WUI4 5/20 0.73
HDAC2 Q92769 5/20 0.73
HDAC10 Q969S8 5/20 0.73
HDAC11 Q96DB2 5/20 0.73
HDAC8 Q9BY41 5/20 0.73
HDAC6 Q9UBN7 5/20 0.73
HDAC9 Q9UKV0 5/20 0.73
HDAC5 Q9UQL6 5/20 0.73
EGFR P00533 15/20 0.70
ERBB2 P04626 6/20 0.68
ERBB4 Q15303 1/20 0.68
SRC P12931 1/20 0.66

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
SCHEMBL9948680 0.94 EGFR (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21620272 0.89 EGFR (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1417948 0.89 EGFR (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13973714 0.88 EGFR (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17498584 0.87 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5375309 0.87 EGFR (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15932944 0.86 EGFR (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8210321 0.86 HDAC3 (0.94) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10080590 0.85 EGFR (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16693868 0.84 EGFR (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2

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 10 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-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 HDAC3 1563/4885HDAC4 3879/4885HDAC1 3216/4885
US-20150126550-A1 PHARMACEUTICAL USES OF 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES PYGL, CSNK1G3, G6PD HDAC3 1245/4885HDAC4 3801/4885HDAC1 3242/4885

“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.