SCHEMBL3639622

SCHEMBL3639622

CCCCc1nccc(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.51
GSK3B P49841 1/20 0.51
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
PARP1 P09874 1/20 0.44
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL791861 0.95 GPR84 (0.54) GPR84GSK3BPDE3BPDE3APARP1
SCHEMBL4016016 0.89 PDE3B (0.51) GPR84GSK3BPDE3BPDE3AMEN1
SCHEMBL3823910 0.80
SCHEMBL24211554 0.79 GPR84 (0.42) GPR84PDE3BPDE3AMEN1KMT2A
SCHEMBL2483213 0.77 PDE3B (0.42) GPR84PDE3BPDE3AMEN1KMT2A
SCHEMBL26011808 0.77 MEN1 (0.39) GPR84PDE3BPDE3AMEN1KMT2A
SCHEMBL3344549 0.73 MEN1 (0.58) GPR84GSK3BMEN1KMT2ASMN1; SMN2
SCHEMBL14639314 0.72
SCHEMBL10927286 0.72
SCHEMBL6294711 0.72 GPR84 (0.38) GPR84PDE3BPDE3AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102477016-A Synthesis and application of intermediate of tapentadol INST MATERIA MEDICA CAMS 2012-05-30 CN claimed
US-20230006152-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE CITY UNIVERSITY OF HONG KONG (HK) 2023-01-05 US disclosed
US-20220402955-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE CITY UNIVERSITY OF HONG KONG (HK) 2022-12-22 US disclosed
CN-102477016-B Synthesis and application of intermediate of tapentadol INST MATERIA MEDICA CAMS 2014-12-17 CN disclosed
CN-101573361-B Aminopyrimidine derivatives as PLK1 inhibitors MSD KK 2012-05-30 CN disclosed
CN-102477016-A Synthesis and application of intermediate of tapentadol INST MATERIA MEDICA CAMS 2012-05-30 CN disclosed
EP-2167489-A2 PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
EP-2167497-A2 HETEROCYCLIC COMPOUNDS USEFUL AS RAF KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
CN-101573361-A Novel aminopyrimidine derivative as plk1 inhibitor BANYU PHARMA CO LTD (JP) 2009-11-04 CN disclosed
WO-2009006404-A2 HETEROCYCLIC COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-01-08 WO disclosed
WO-2009006389-A2 PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-01-08 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 (2 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-20230006152-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE OCIAD1, OCIAD2, OPRD1 GPR84 2045/4885GSK3B 4439/4885PDE3B 4839/4885
US-20220402955-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE OCIAD1, OCIAD2, OSTC GPR84 1897/4885GSK3B 3819/4885PDE3B 4814/4885

“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.