SCHEMBL15519021

SCHEMBL15519021

COCCOc1cc2ncnc(NCc3ccc(C(=O)Nc4ccnc(N)c4)cc3)c2cc1OCCOC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.51
▸ EGFR P00533 7/20 0.48
▸ HDAC1 Q13547 3/20 0.48
▸ ERBB2 P04626 3/20 0.48
▸ HDAC3 O15379 2/20 0.48
▸ HDAC4 P56524 2/20 0.48
▸ HDAC7 Q8WUI4 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC10 Q969S8 2/20 0.48
▸ HDAC11 Q96DB2 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC9 Q9UKV0 2/20 0.48
▸ HDAC5 Q9UQL6 2/20 0.48
▸ AURKB Q96GD4 5/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 1/20 0.48

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
SCHEMBL15519797 0.92 KDR (0.60) KDREGFRAURKBKDM4EHTT
SCHEMBL15519478 0.89 AURKB (0.61) KDREGFRHDAC1HDAC3HDAC6
SCHEMBL15520326 0.84 EGFR (0.66) KDREGFRHDAC1AURKBALDH1A1
SCHEMBL15518978 0.83 HDAC1 (0.69) KDREGFRHDAC1ERBB2HDAC3
SCHEMBL15579871 0.83 HDAC1 (0.54) KDREGFRHDAC1ERBB2HDAC3
SCHEMBL15519461 0.82 EGFR (0.46) KDREGFRHDAC1ERBB2HDAC3
SCHEMBL15519686 0.82 AURKA (0.53) EGFRHDAC1ERBB2HDAC6AURKB
SCHEMBL15519919 0.82 HDAC1 (0.68) EGFRHDAC1HDAC6AURKBHTT
SCHEMBL15520338 0.81 HDAC1 (0.70) KDREGFRHDAC1ERBB2HDAC3
SCHEMBL15520447 0.79 KDR (0.73) KDREGFRAURKBIRAK4AURKA

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 4421/4885EGFR 3198/4885HDAC1 3/4885

“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.

Send feedback