SCHEMBL16239089

SCHEMBL16239089

O=C1CN=C(c2cccc(Br)c2)c2ccc3ccccc3c2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 5/20 0.61
KMT2A Q03164 1/20 0.60
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
GABRA1 P14867 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRA2 P47869 3/20 0.43
GABRB2 P47870 3/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
CNR1 P21554 1/20 0.41
NTSR1 P30989 1/20 0.41
OPRK1 P41145 1/20 0.41
PDE4D Q08499 1/20 0.41
ADRA1A P35348 1/20 0.41
TDP2 O95551 1/20 0.40
LMNA P02545 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
SCHEMBL16239021 0.87 SMN1; SMN2 (0.59) P2RX4KMT2AMAPTTSHRALOX12
SCHEMBL30094485 0.87 SMN1; SMN2 (0.59) P2RX4KMT2AMAPTTSHRALOX12
SCHEMBL18661904 0.86 P2RX4 (0.60) P2RX4MAPTTSHRALOX12SMN1; SMN2
SCHEMBL16239231 0.86 P2RX4 (0.50) P2RX4KMT2AMAPTTSHRALOX12
SCHEMBL2681057 0.86 P2RX4 (0.50) P2RX4KMT2AMAPTTSHRALOX12
SCHEMBL23094055 0.84 P2RX4 (0.50) P2RX4KMT2AMAPTTSHRALOX12
SCHEMBL2680321 0.83 P2RX4 (0.54) P2RX4KMT2AGABRA1GABRA5GABRA3
SCHEMBL2682170 0.81 P2RX4 (0.52) P2RX4MAPTSMN1; SMN2GABRA1GABRA5
SCHEMBL29984508 0.81 P2RX4 (0.49) P2RX4KMT2AMAPTTSHRALOX12
SCHEMBL25343785 0.80 P2RX4 (0.49) P2RX4KMT2AMAPTTSHRALOX12

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 6/4885KMT2A 2174/4885MAPT 4724/4885
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 P2RX4 5/4885KMT2A 2558/4885MAPT 4732/4885
US-12116351-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 P2RX4 6/4885KMT2A 2174/4885MAPT 4724/4885
US-20160280667-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 P2RX4 6/4885KMT2A 2156/4885MAPT 4720/4885
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 P2RX4 6/4885KMT2A 2174/4885MAPT 4724/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 P2RX4 6/4885KMT2A 2174/4885MAPT 4724/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 P2RX4 6/4885KMT2A 2174/4885MAPT 4724/4885
US-10633349-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 P2RX4 6/4885KMT2A 2174/4885MAPT 4724/4885
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 P2RX4 6/4885KMT2A 2174/4885MAPT 4724/4885

“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.