SCHEMBL15091057

SCHEMBL15091057

CC(C)(C)OC(=O)Nc1ccc(Nc2ccc3ccccc3c2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAP4K4 O95819 1/20 0.42
AURKA O14965 2/20 0.42
AURKB Q96GD4 1/20 0.42
NCEH1 Q6PIU2 1/20 0.41
PRMT1 Q99873 1/20 0.41
TTK P33981 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NAMPT P43490 1/20 0.40
MAPKAPK2 P49137 4/20 0.40
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
CYP17A1 P05093 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL29908838 1.00 BRD4 (0.43) BRD4NPSR1MAP4K4AURKAAURKB
SCHEMBL15090993 0.90 BRD4 (0.46) BRD4NPSR1AURKALMNATOP2A
SCHEMBL29908796 0.86 NAMPT (0.49) BRD4NCEH1NAMPTGAA
SCHEMBL16239183 0.86 NAMPT (0.49) BRD4NCEH1NAMPTGAA
SCHEMBL16239142 0.86 KMT2A (0.43) NPSR1MEN1KMT2ANPC1GAA
SCHEMBL29908816 0.86 KMT2A (0.43) NPSR1MEN1KMT2ANPC1GAA
SCHEMBL29908851 0.84 NAMPT (0.47) BRD4MAP4K4PRMT1NAMPTMAPKAPK2
SCHEMBL15090932 0.81 PRMT1 (0.52) BRD4NPSR1AURKAAURKBNCEH1
SCHEMBL29908819 0.81 PRMT1 (0.52) BRD4NPSR1AURKAAURKBNCEH1
SCHEMBL15091107 0.81 PRMT1 (0.41) BRD4NPSR1NCEH1PRMT1MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108863959-B P2X4 receptor antagonists 日本化学药品株式会社 2021-11-30 CN disclosed
CN-111333588-A P2X4 receptor antagonists 日本化学药品株式会社 2020-06-26 CN disclosed
CN-104066724-B P2X4 receptor antagonists 日本化学药品株式会社 2020-04-17 CN disclosed
EP-2631229-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2014-12-03 EP disclosed
US-8673915-B2 P 2×4 receptor antagonist NIPPON CHEMIPHAR CO., LTD. (JP) 2014-03-18 US disclosed
EP-2631229-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2013-08-28 EP disclosed
US-20130178625-A1 P 2 X 4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2013-07-11 US 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-20130178625-A1 P 2 X 4 RECEPTOR ANTAGONIST P2RX4, P2RX2, P2RY4 BRD4 373/4885NPSR1 36/4885MAP4K4 1919/4885

“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.