SCHEMBL15518989

SCHEMBL15518989

COc1cccc2c(NCc3ccc(C(=O)Nc4ccccc4N)cc3)ncnc12

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 0.71
▸ HDAC2 Q92769 2/20 0.60
▸ AURKA O14965 5/20 0.57
▸ AURKB Q96GD4 4/20 0.57
▸ RPS6KB1 P23443 2/20 0.54
▸ HDAC3 O15379 1/20 0.53
▸ NCOR2 Q9Y618 1/20 0.53

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
SCHEMBL15520209 0.89 HDAC1 (0.73) HDAC1HDAC2AURKAAURKBRPS6KB1
SCHEMBL15519873 0.89 HDAC1 (0.65) HDAC1HDAC2HDAC3
SCHEMBL15519814 0.87 HDAC1 (0.74) HDAC1HDAC2AURKAAURKBRPS6KB1
SCHEMBL15518986 0.85 HDAC1 (0.56) HDAC1HDAC2AURKAAURKBRPS6KB1
SCHEMBL22299730 0.84 AURKA (0.58) HDAC1HDAC2AURKAAURKBRPS6KB1
SCHEMBL15518884 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1063625 0.81 HDAC1 (0.74) HDAC1HDAC2HDAC3NCOR2
SCHEMBL15520290 0.81 HDAC1 (0.74) HDAC1HDAC2HDAC3NCOR2
SCHEMBL15518979 0.81 HDAC1 (0.74) HDAC1HDAC2HDAC3NCOR2
SCHEMBL15518978 0.80 HDAC1 (0.69) HDAC1HDAC2HDAC3NCOR2

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
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

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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