SCHEMBL15519797

SCHEMBL15519797

COc1cc2ncnc(NCc3ccc(C(=O)Nc4ccnc(N)c4)cc3)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.60
▸ KDM4E B2RXH2 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ MAPK1 P28482 1/20 0.57
▸ EGFR P00533 6/20 0.56
▸ LMNA P02545 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ LCK P06239 1/20 0.55
▸ MAPK14 Q16539 3/20 0.55
▸ AURKB Q96GD4 3/20 0.54
▸ AURKA O14965 1/20 0.54

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
SCHEMBL15519021 0.92 KDR (0.51) KDRKDM4EHTTALDH1A1MEN1
SCHEMBL15520447 0.87 KDR (0.73) KDREGFRMAPK14AURKBAURKA
SCHEMBL15520326 0.87 EGFR (0.66) KDRALDH1A1EGFRLCKAURKB
SCHEMBL15519461 0.84 EGFR (0.46) KDRALDH1A1EGFRLCKMAPK14
SCHEMBL15519686 0.84 AURKA (0.53) ALDH1A1MAPK1EGFRLMNAAURKB
SCHEMBL15519919 0.84 HDAC1 (0.68) HTTMAPK1EGFRLMNAAURKB
SCHEMBL15519463 0.83 KDR (0.45) KDRKDM4EHTTALDH1A1MEN1
SCHEMBL20782507 0.82 HTT (0.69) KDRKDM4EHTTALDH1A1MEN1
SCHEMBL15579869 0.82 HDAC1 (0.56) KDRKDM4EHTTALDH1A1MEN1
SCHEMBL15519478 0.80 AURKB (0.61) KDREGFRAURKBAURKA

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 KDR 4421/4885KDM4E 49/4885HTT 3050/4885

“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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