SCHEMBL37633

SCHEMBL37633

O=C(NO)c1ccncn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.69
GRM4 Q14833 4/20 0.56
HDAC1 Q13547 7/20 0.46
HDAC6 Q9UBN7 7/20 0.46
KDM1A O60341 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
ABL1 P00519 1/20 0.42
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ADORA3 P0DMS8 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
SCHEMBL31627592 0.82 P2RX7 (1.00) P2RX7GRM4GSK3AGSK3BABL1
SCHEMBL3650483 0.82 P2RX7 (0.67) P2RX7GRM4GSK3AGSK3BABL1
SCHEMBL107554 0.82 P2RX7 (1.00) P2RX7GRM4GSK3AGSK3BABL1
SCHEMBL13726856 0.80 GRM4 (0.66) P2RX7GRM4
Hydrochloric Acid SCHEMBL30402220 0.80 P2RX7 (0.65) P2RX7GRM4GSK3AGSK3BABL1
SCHEMBL1224735 0.78
SCHEMBL30822602 0.78
SCHEMBL28171086 0.78 P2RX7 (0.61) P2RX7GRM4GSK3AGSK3BABL1
SCHEMBL4611244 0.77 P2RX7 (0.61) P2RX7GRM4GSK3AGSK3BABL1
SCHEMBL13728642 0.77 GRM4 (0.62) P2RX7GRM4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106535891-A Histone deacetylase inhibitors, compositions and methods of use thereof CHDI基金会股份有限公司 2017-03-22 CN claimed
US-20230056785-A1 GAS-STORING MATERIAL INCLUDING METAL/ORGANIC FRAMEWORK BONDED BY HYDROXAMIC ACID RIKKYO EDUCATIONAL CORPORATION (JP) 2023-02-23 US disclosed
US-8153630-B2 of Aurora-2 (Aurora-A) protein kinase; anticancer; 6-(pyrazolylamino)-4-pyrimidine carboxamides; Methyl 2-(4-cyclopropanecarboxamidophenylsulfanyl)-5-amino-6-(5-methylpyrazol-3-ylamino)-4-pyrimidinecarboxylate MIIKANA THERAPEUTICS, INC. (US) 2012-04-10 US disclosed
WO-2012004900-A1 THIENOPYRIMIDINE COMPOUNDS ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 WO disclosed
EP-1812424-A4 KINASE INHIBITORS MIIKANA THERAPEUTICS INC (US) 2009-07-08 EP disclosed
US-20080200485-A1 Kinase Inhibitors MIIKANA THERAPEUTICS, INC. 2008-08-21 US disclosed
EP-1812424-A2 KINASE INHIBITORS Miikana Therapeutics, Inc. (US) 2007-08-01 EP disclosed
WO-2006055831-A2 KINASE INHIBITORS MIIKANA THERAPEUTICS, INC. (US) 2006-05-26 WO 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-20080200485-A1 Kinase Inhibitors AURKC, AURKA, AURKB P2RX7 4288/4885GRM4 4842/4885HDAC1 1154/4885

“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.