SCHEMBL15520192

SCHEMBL15520192

CCC(Oc1cc2c(Nc3ccc(C(=O)Nc4cc(F)ccc4N)cc3)ncnc2cc1OC)C1COCCN1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.63
▸ KDR P35968 11/20 0.48
▸ AURKB Q96GD4 3/20 0.45
▸ AURKA O14965 2/20 0.45
▸ EGFR P00533 5/20 0.45
▸ MAPK14 Q16539 3/20 0.44
▸ EPHA2 P29317 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ RET P07949 1/20 0.44
▸ MET P08581 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ LTK P29376 1/20 0.44
▸ TTK P33981 1/20 0.44
▸ MAP2K2 P36507 1/20 0.44
▸ MAP2K1 Q02750 1/20 0.44

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 0.92 HDAC1 (0.61) HDAC1KDRAURKBAURKAEGFR
SCHEMBL28424820 0.87 EGFR (0.58) HDAC1KDREGFREPHA2LCK
SCHEMBL15520190 0.85 HDAC1 (0.72) HDAC1KDRAURKBAURKAEGFR
SCHEMBL15519765 0.83 HDAC1 (0.51) HDAC1KDREGFRMAPK14LCK
SCHEMBL22394465 0.79 EGFR (0.61) KDRAURKBAURKAEGFRMAPK14
SCHEMBL28428839 0.79 KDR (0.52) KDRAURKBAURKAEGFRMAPK14
SCHEMBL15519463 0.79 KDR (0.45) KDRAURKBAURKAEGFRMAPK14
Hydrochloric Acid SCHEMBL28384466 0.79 EGFR (0.60) KDRAURKBAURKAEGFRMAPK14
SCHEMBL15579855 0.77 HDAC1 (1.00) HDAC1KDRAURKBAURKAEGFR
SCHEMBL28427303 0.76 EGFR (0.60) HDAC1KDREGFRMAPK14EPHA2

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 3/4885KDR 4421/4885AURKB 347/4885

“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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