SCHEMBL16239142

SCHEMBL16239142

COc1cc(Nc2ccc3ccccc3c2N)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PIK3CD O00329 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
BACE1 P56817 1/20 0.40
PRKDC P78527 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MAPK14 Q16539 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
SCHEMBL29908816 1.00 KMT2A (0.43) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL16239468 0.86 KMT2A (0.47) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL29908838 0.86 BRD4 (0.43) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL15091057 0.86 BRD4 (0.43) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL15090993 0.85 BRD4 (0.46) NPSR1
SCHEMBL16239122 0.84 ANO1 (0.46) KMT2AMEN1GAAALDH1A1
SCHEMBL28394927 0.80 NCEH1 (0.43) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL16239183 0.78 NAMPT (0.49) GAA
SCHEMBL29908796 0.78 NAMPT (0.49) GAA
SCHEMBL15091107 0.77 PRMT1 (0.41) KMT2AMEN1NPC1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2024-12-19 US disclosed
US-12116351-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2024-10-15 US disclosed
US-20220380322-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2022-12-01 US disclosed
US-11434207-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2022-09-06 US disclosed
CN-108863959-B P2X4 receptor antagonists 日本化学药品株式会社 2021-11-30 CN disclosed
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2020-07-16 US disclosed
CN-111333588-A P2X4 receptor antagonists 日本化学药品株式会社 2020-06-26 CN disclosed
US-10633349-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2020-04-28 US disclosed
CN-104066724-B P2X4 receptor antagonists 日本化学药品株式会社 2020-04-17 CN disclosed
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2018-07-19 US disclosed
US-9969700-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD. (JP) 2018-05-15 US disclosed
EP-2803662-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2017-03-01 EP disclosed
US-20160280667-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2016-09-29 US disclosed
US-9382236-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2016-07-05 US disclosed
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2014-12-04 US disclosed
EP-2803662-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2014-11-19 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 (9 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-20220380322-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 KMT2A 2174/4885MEN1 3450/4885NPC1 2397/4885
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 KMT2A 2558/4885MEN1 3285/4885NPC1 2413/4885
US-12116351-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 KMT2A 2174/4885MEN1 3450/4885NPC1 2397/4885
US-20160280667-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 KMT2A 2156/4885MEN1 3353/4885NPC1 2443/4885
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 KMT2A 2174/4885MEN1 3450/4885NPC1 2397/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 KMT2A 2174/4885MEN1 3450/4885NPC1 2397/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 KMT2A 2174/4885MEN1 3450/4885NPC1 2397/4885
US-10633349-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 KMT2A 2174/4885MEN1 3450/4885NPC1 2397/4885
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 KMT2A 2174/4885MEN1 3450/4885NPC1 2397/4885

“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.