SCHEMBL16239231

SCHEMBL16239231

Nc1cccc(C2=NCC(=O)Nc3c2ccc2ccccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 5/20 0.50
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4D Q08499 2/20 0.41
CNR1 P21554 1/20 0.41
NTSR1 P30989 1/20 0.41
OPRK1 P41145 1/20 0.41
TDP2 O95551 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 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
SCHEMBL30094436 0.87 P2RX4 (0.57) P2RX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL16239086 0.87 P2RX4 (0.57) P2RX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL18661904 0.86 P2RX4 (0.60) P2RX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL2681057 0.86 P2RX4 (0.50) P2RX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL16239089 0.86 P2RX4 (0.61) P2RX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL23094055 0.84 P2RX4 (0.50) P2RX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL2680321 0.83 P2RX4 (0.54) P2RX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL2682170 0.81 P2RX4 (0.52) P2RX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL29984508 0.81 P2RX4 (0.49) P2RX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL25343785 0.80 P2RX4 (0.49) P2RX4GABRA1GABRG2GABRB3GABRA5

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 P2RX4 6/4885GABRA1 216/4885GABRG2 237/4885
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 P2RX4 5/4885GABRA1 194/4885GABRG2 245/4885
US-12116351-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 P2RX4 6/4885GABRA1 216/4885GABRG2 237/4885
US-20160280667-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 P2RX4 6/4885GABRA1 208/4885GABRG2 228/4885
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 P2RX4 6/4885GABRA1 216/4885GABRG2 237/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 P2RX4 6/4885GABRA1 216/4885GABRG2 237/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 P2RX4 6/4885GABRA1 216/4885GABRG2 237/4885
US-10633349-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 P2RX4 6/4885GABRA1 216/4885GABRG2 237/4885
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 P2RX4 6/4885GABRA1 216/4885GABRG2 237/4885

“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.