SCHEMBL15519470

SCHEMBL15519470

COc1cc2ncnc(Nc3ccc(C(=O)Nc4ccccc4N)cc3)c2cc1OCCCN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 1.00
▸ EGFR P00533 10/20 0.81
▸ KDR P35968 8/20 0.81
▸ AURKA O14965 7/20 0.81
▸ SRC P12931 3/20 0.81
▸ AURKB Q96GD4 2/20 0.81
▸ ROCK2 O75116 1/20 0.81
▸ ALDH1A1 P00352 1/20 0.81
▸ LCK P06239 1/20 0.81
▸ FYN P06241 1/20 0.81
▸ RET P07949 1/20 0.81
▸ MET P08581 1/20 0.81
▸ MAPT P10636 1/20 0.81
▸ PDGFRA P16234 1/20 0.81
▸ LTK P29376 1/20 0.81
▸ TTK P33981 1/20 0.81
▸ MAP2K2 P36507 1/20 0.81
▸ MAP2K1 Q02750 1/20 0.81
▸ BTK Q06187 1/20 0.81
▸ TYRO3 Q06418 1/20 0.81

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
SCHEMBL15579855 0.91 HDAC1 (1.00) HDAC1EGFRKDRAURKASRC
SCHEMBL15519764 0.90 HDAC1 (0.82) HDAC1EGFRKDRAURKASRC
SCHEMBL597105 0.90 EGFR (1.00) HDAC1EGFRKDRAURKASRC
SCHEMBL29377224 0.90 EGFR (1.00) HDAC1EGFRKDRAURKASRC
SCHEMBL6949133 0.88 EGFR (0.82) HDAC1EGFRKDRAURKASRC
SCHEMBL6704281 0.86 EGFR (0.80) HDAC1EGFRKDRAURKASRC
Hydrochloric Acid SCHEMBL3535974 0.85 EGFR (0.80) HDAC1EGFRKDRAURKASRC
SCHEMBL3531151 0.85 SRC (0.86) HDAC1EGFRKDRAURKASRC
SCHEMBL15520080 0.84 HDAC1 (0.71) HDAC1EGFRKDRAURKAAURKB
SCHEMBL13529060 0.84 SRC (0.84) HDAC1EGFRKDRAURKASRC

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 3/4885EGFR 3198/4885KDR 4421/4885

“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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