SCHEMBL15519919

SCHEMBL15519919

Nc1cc(NC(=O)c2ccc(CNc3ncnc4ccccc34)cc2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.68
▸ EGFR P00533 4/20 0.52
▸ NR2F2 P24468 3/20 0.52
▸ GALR3 O60755 2/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ AURKA O14965 7/20 0.51
▸ AURKB Q96GD4 6/20 0.51
▸ RPS6KB1 P23443 4/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CTNNB1 P35222 4/20 0.48
▸ TCF7L2 Q9NQB0 4/20 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
SCHEMBL15519686 0.87 AURKA (0.53) HDAC1EGFRLMNAMAPK1AURKA
SCHEMBL15520428 0.85 DNMT1 (0.58) HDAC1EGFRRAB9AAURKAAURKB
SCHEMBL15519619 0.85 AURKA (0.61) HDAC1AURKAAURKBRPS6KB1PDPK1
SCHEMBL15519797 0.84 KDR (0.60) EGFRLMNAMAPK1HTTAURKA
SCHEMBL15519021 0.82 KDR (0.51) HDAC1EGFRLMNAMAPK1HTT
SCHEMBL15518884 0.81 HDAC1 (1.00) HDAC1EGFRNR2F2GALR3RAB9A
SCHEMBL15579859 0.79 HDAC1 (0.80) HDAC1EGFRNR2F2GALR3RAB9A
SCHEMBL1565884 0.79 NAMPT (0.55) HDAC1MAPK1HDAC6
SCHEMBL15519022 0.78 HDAC1 (1.00) HDAC1EGFRNR2F2GALR3RAB9A
SCHEMBL15519871 0.76 HDAC1 (0.71) HDAC1

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 3/4885EGFR 3198/4885NR2F2 904/4885

“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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