SCHEMBL15519686

SCHEMBL15519686

CC(=O)Nc1ccc2ncnc(NCc3ccc(C(=O)Nc4ccnc(N)c4)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.53
▸ AURKB Q96GD4 3/20 0.53
▸ LMNA P02545 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ RPS6KB1 P23443 3/20 0.46
▸ EGFR P00533 5/20 0.46
▸ CNR1 P21554 3/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CTNNB1 P35222 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
SCHEMBL15519919 0.87 HDAC1 (0.68) AURKAAURKBLMNAHDAC1RPS6KB1
SCHEMBL15519797 0.84 KDR (0.60) AURKAAURKBLMNAEGFRALDH1A1
SCHEMBL15520210 0.84 HDAC1 (0.74) AURKAAURKBLMNATDP1HDAC1
SCHEMBL15579861 0.84 HDAC1 (0.58) AURKAAURKBLMNATDP1HDAC1
SCHEMBL15519021 0.82 KDR (0.51) AURKAAURKBLMNAHDAC1RPS6KB1
SCHEMBL15519455 0.79 HDAC1 (0.55) AURKAAURKBLMNATDP1HDAC1
SCHEMBL15519619 0.78 AURKA (0.61) AURKAAURKBHDAC1RPS6KB1
SCHEMBL15520428 0.74 DNMT1 (0.58) AURKAAURKBHDAC1RPS6KB1EGFR
SCHEMBL15520326 0.73 EGFR (0.66) AURKAAURKBHDAC1EGFRALDH1A1
SCHEMBL15520447 0.72 KDR (0.73) AURKAAURKBEGFR

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 AURKA 239/4885AURKB 347/4885LMNA 2655/4885

“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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