SCHEMBL15519022

SCHEMBL15519022

Nc1ccc(F)cc1NC(=O)c1ccc(CNc2ncnc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 1.00
▸ HDAC2 Q92769 5/20 0.59
▸ AURKA O14965 2/20 0.53
▸ RPS6KB1 P23443 2/20 0.53
▸ USP10 Q14694 1/20 0.52
▸ PIK3C3 Q8NEB9 1/20 0.52
▸ USP13 Q92995 1/20 0.52
▸ HDAC3 O15379 2/20 0.51
▸ HDAC4 P56524 2/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ HDAC9 Q9UKV0 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ NCOR1 O75376 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ CTNNB1 P35222 4/20 0.50
▸ TCF7L2 Q9NQB0 4/20 0.50

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
SCHEMBL15518884 0.88 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL15519896 0.85 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL15520209 0.84 HDAC1 (0.73) HDAC1HDAC2AURKARPS6KB1HDAC3
SCHEMBL15519871 0.83 HDAC1 (0.71) HDAC1HDAC2
SCHEMBL15520338 0.82 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL15579859 0.82 HDAC1 (0.80) HDAC1HDAC2HDAC3HDAC11HDAC8
SCHEMBL15519814 0.78 HDAC1 (0.74) HDAC1HDAC2AURKARPS6KB1HDAC3
SCHEMBL15519919 0.78 HDAC1 (0.68) HDAC1AURKARPS6KB1HDAC6CTNNB1
SCHEMBL15519513 0.78 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL15520290 0.77 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC4HDAC7

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
US-9034886-B2 4-aminoquinazoline derivatives and uses thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-05-19 — — US claimed
US-20140235633-A1 4-Aminoquinazoline Derivatives and Uses Thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2014-08-21 — — US claimed
EP-2708532-A1 4-AMINOQUINAZOLINE DERIVATIVES AND USES THEREOF Jiangsu Hengyi Pharmaceutical Co.,Ltd (CN) 2014-03-19 — — EP claimed
US-9034886-B2 4-aminoquinazoline derivatives and uses thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-05-19 — — US disclosed
US-9034886-B2 4-aminoquinazoline derivatives and uses thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-05-19 — — US disclosed
US-9034886-B2 4-aminoquinazoline derivatives and uses thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-05-19 — — US disclosed
US-20140235633-A1 4-Aminoquinazoline Derivatives and Uses Thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2014-08-21 — — US disclosed
US-20140235633-A1 4-Aminoquinazoline Derivatives and Uses Thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2014-08-21 — — US disclosed
US-20140235633-A1 4-Aminoquinazoline Derivatives and Uses Thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2014-08-21 — — US disclosed
EP-2708532-A1 4-AMINOQUINAZOLINE DERIVATIVES AND USES THEREOF Jiangsu Hengyi Pharmaceutical Co.,Ltd (CN) 2014-03-19 — — EP disclosed
EP-2708532-A1 4-AMINOQUINAZOLINE DERIVATIVES AND USES THEREOF Jiangsu Hengyi Pharmaceutical Co.,Ltd (CN) 2014-03-19 — — EP 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 (1 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-20140235633-A1 4-Aminoquinazoline Derivatives and Uses Thereof HDAC5, HDAC4, HDAC1 HDAC1 3/4885HDAC2 5/4885AURKA 239/4885

“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.

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