SCHEMBL15519900

SCHEMBL15519900

COc1cccc2ncnc(Nc3ccc(C(=O)Nc4ccccc4N)cc3)c12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.55
▸ AURKB Q96GD4 3/20 0.52
▸ AURKA O14965 3/20 0.52
▸ HDAC3 O15379 3/20 0.52
▸ HDAC2 Q92769 3/20 0.52
▸ HDAC4 P56524 2/20 0.52
▸ HDAC7 Q8WUI4 2/20 0.52
▸ HDAC10 Q969S8 2/20 0.52
▸ HDAC11 Q96DB2 2/20 0.52
▸ HDAC8 Q9BY41 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ HDAC9 Q9UKV0 2/20 0.52
▸ HDAC5 Q9UQL6 2/20 0.52
▸ KDR P35968 2/20 0.51
▸ EGFR P00533 3/20 0.50
▸ MAPK14 Q16539 2/20 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
SCHEMBL15579860 0.89 HDAC1 (0.48) HDAC1AURKBAURKAKDREGFR
SCHEMBL15518986 0.85 HDAC1 (0.56) HDAC1AURKBAURKAHDAC3HDAC2
SCHEMBL15520109 0.83 AURKB (0.53) HDAC1AURKBAURKAKDREGFR
SCHEMBL15519966 0.81 HDAC1 (0.71) HDAC1AURKBHDAC3HDAC2HDAC4
SCHEMBL15519747 0.80 HDAC1 (0.65) HDAC1AURKBAURKAHDAC3HDAC2
SCHEMBL15520080 0.77 HDAC1 (0.71) HDAC1AURKBAURKAHDAC3HDAC6
SCHEMBL13042322 0.77 EGFR (0.74) AURKBKDREGFRMAPK14
SCHEMBL15519569 0.76 HDAC1 (0.66) HDAC1AURKBAURKAHDAC3HDAC2
SCHEMBL15518898 0.76 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL15520195 0.75 HDAC1 (0.70) HDAC1AURKBAURKAHDAC3HDAC2

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 3/4885AURKB 347/4885AURKA 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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