SCHEMBL12495746

SCHEMBL12495746

CCCCc1c(Cl)nc(N)nc1-c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ DRD2 P14416 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ TLR8 Q9NR97 4/20 0.37
▸ HPGD P15428 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL16223017 0.90 ADORA2A (0.47) ADORA2AADORA1DRD2HTR6TLR8
SCHEMBL21313192 0.84 ADORA2A (0.45) ADORA2AADORA1DRD2HTR6TLR8
SCHEMBL16223135 0.84 ADORA2A (0.58) ADORA2AADORA1DRD2HTR6TLR8
SCHEMBL12496008 0.82 GCGR (0.43) ADORA2AADORA1TLR8HPGDALDH1A1
SCHEMBL16223083 0.82 ADORA2A (0.43) ADORA2AADORA1DRD2HTR6TLR8
SCHEMBL12495995 0.80 HEXA (0.48) ADORA2AADORA1TLR8ALDH1A1SMN1; SMN2
SCHEMBL12495846 0.80 TLR8 (0.54) ADORA2AADORA1TLR8HPGDALDH1A1
SCHEMBL16223036 0.80 HRH2 (0.52) ADORA2AADORA1TLR8ALDH1A1SMN1; SMN2
SCHEMBL12495826 0.80 ADK (0.44) ADORA2AADORA1DRD2HTR6TLR8
SCHEMBL12495903 0.80 ADORA2A (0.44) ADORA2AADORA1DRD2HTR6TLR8

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
US-8883798-B2 Pyrimidine compounds inhibiting the formation of nitric oxide and prostaglandin E2, method of production thereof and use thereof USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR, v.v.i. (CZ) 2014-11-11 — — US claimed
US-20130324566-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF USTAV EXPERIMENTALNI MEDICINY AKADEMIE VED CR, v.v.i. (CZ) 2013-12-05 — — US claimed
EP-3195867-B1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR V V I (CZ) 2019-09-04 — — EP disclosed
EP-3195867-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF Ustav Organicke Chemie A Biochemie Akademie Ved Cr, v.v.i. (CZ) 2017-07-26 — — EP disclosed
EP-3195867-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF Ustav Organicke Chemie A Biochemie Akademie Ved Cr, v.v.i. (CZ) 2017-07-26 — — EP disclosed
US-8883798-B2 Pyrimidine compounds inhibiting the formation of nitric oxide and prostaglandin E2, method of production thereof and use thereof USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR, v.v.i. (CZ) 2014-11-11 — — US disclosed
US-8883798-B2 Pyrimidine compounds inhibiting the formation of nitric oxide and prostaglandin E2, method of production thereof and use thereof USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR, v.v.i. (CZ) 2014-11-11 — — US disclosed
US-8883798-B2 Pyrimidine compounds inhibiting the formation of nitric oxide and prostaglandin E2, method of production thereof and use thereof USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR, v.v.i. (CZ) 2014-11-11 — — US disclosed
EP-2680847-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF Ustav Organicke Chemie A Biochemie Akademie Ved Cr, v.v.i. (CZ) 2014-01-08 — — EP disclosed
US-20130324566-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF USTAV EXPERIMENTALNI MEDICINY AKADEMIE VED CR, v.v.i. (CZ) 2013-12-05 — — US disclosed
WO-2012116666-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR, v.v.i. (CZ) 2012-09-07 — — 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-20130324566-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF PTGIS, PTGS2, PTGES2 ADORA2A 110/4885ADORA1 215/4885DRD2 3502/4885

“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.

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