SCHEMBL15519765

SCHEMBL15519765

CCC(Oc1cc2c(NCc3ccc(C(=O)Nc4ccccc4N)cc3)ncnc2cc1OC)C1COCCN1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.51
▸ EGFR P00533 5/20 0.46
▸ HDAC2 Q92769 2/20 0.45
▸ MAPK14 Q16539 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL15519473 0.91 HDAC1 (0.61) HDAC1EGFRMAPK14LCKKDR
SCHEMBL15519463 0.88 KDR (0.45) EGFRMAPK14KDM4ELMNAHPGD
SCHEMBL15519763 0.85 HDAC1 (0.58) HDAC1EGFRHDAC2KDM4ELMNA
SCHEMBL15520192 0.83 HDAC1 (0.63) HDAC1EGFRMAPK14LCKKDR
SCHEMBL15519764 0.77 HDAC1 (0.82) HDAC1EGFRLCKKDR
SCHEMBL15518978 0.76 HDAC1 (0.69) HDAC1EGFRHDAC2KDM4ELMNA
SCHEMBL15519469 0.75 HDAC1 (0.71) HDAC1EGFRMAPK14LCKKDR
SCHEMBL15519461 0.73 EGFR (0.46) HDAC1EGFRHDAC2MAPK14LCK
SCHEMBL15579869 0.73 HDAC1 (0.56) HDAC1EGFRHDAC2MAPK14KDM4E
SCHEMBL28424820 0.73 EGFR (0.58) HDAC1EGFRHDAC2LCKKDR

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 6 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-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 3/4885EGFR 3198/4885HDAC2 5/4885

“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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