SCHEMBL15519513

SCHEMBL15519513

Nc1ccccc1NC(=O)c1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 18/20 0.73
▸ EGFR P00533 3/20 0.55
▸ HDAC2 Q92769 4/20 0.51
▸ HDAC3 O15379 4/20 0.51
▸ ABL1 P00519 2/20 0.51
▸ ERBB2 P04626 2/20 0.51
▸ PDGFRB P09619 2/20 0.51
▸ CDK2 P24941 2/20 0.51
▸ HDAC4 P56524 2/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ HDAC9 Q9UKV0 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ INSR P06213 1/20 0.49
▸ RET P07949 1/20 0.48
▸ KDR P35968 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
SCHEMBL15519568 0.86 EGFR (0.64) HDAC1EGFRHDAC2HDAC3ABL1
SCHEMBL15518884 0.85 HDAC1 (1.00) HDAC1EGFRHDAC2HDAC3HDAC4
SCHEMBL15520210 0.83 HDAC1 (0.74) HDAC1EGFRHDAC2HDAC3ABL1
SCHEMBL15518979 0.83 HDAC1 (0.74) HDAC1EGFRHDAC2HDAC3ABL1
SCHEMBL211614 0.79 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL15518978 0.78 HDAC1 (0.69) HDAC1EGFRHDAC2HDAC3ERBB2
SCHEMBL15519022 0.78 HDAC1 (1.00) HDAC1EGFRHDAC2HDAC3HDAC4
SCHEMBL15520290 0.78 HDAC1 (0.74) HDAC1EGFRHDAC2HDAC3HDAC4
SCHEMBL9921511 0.76 USP10 (0.70) EGFRERBB2KDR
SCHEMBL9921349 0.76 EGFR (0.64) EGFRKDR

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 10 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-9034886-B2 4-aminoquinazoline derivatives and uses thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-05-19 — — US disclosed
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
US-20140235633-A1 4-Aminoquinazoline Derivatives and Uses Thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2014-08-21 — — 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 3198/4885HDAC2 5/4885

“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