SCHEMBL12495759

SCHEMBL12495759

CCCCc1c(-c2ccc(F)cc2)nc(N)nc1-c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 2/20 0.56
▸ HRH3 Q9Y5N1 2/20 0.56
▸ ADORA2A P29274 3/20 0.50
▸ ADORA1 P30542 2/20 0.49
▸ SCN9A Q15858 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ HEXA P06865 1/20 0.44
▸ HEXB P07686 1/20 0.44
▸ CCNB2 O95067 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ ZAP70 P43403 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ CCNB3 Q8WWL7 1/20 0.43

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
SCHEMBL12495753 0.93 HRH3 (0.63) HRH2HRH3ADORA2AADORA1KMT2A
SCHEMBL12495989 0.90 ADORA2A (0.51) HRH2HRH3ADORA2AADORA1SCN9A
SCHEMBL12496097 0.88 ADORA2A (0.62) HRH2HRH3ADORA2AADORA1KMT2A
SCHEMBL12496112 0.86 HRH2 (0.56) HRH2HRH3ADORA2AADORA1KMT2A
SCHEMBL12496108 0.85 ADORA2A (0.57) ADORA2AADORA1SCN9ATLR8GCGR
SCHEMBL12496373 0.84 HRH2 (0.56) HRH2HRH3ADORA2AADORA1KMT2A
SCHEMBL21313217 0.83 MAPK14 (0.49) ADORA2AADORA1GSK3BSRCBRAF
SCHEMBL16223036 0.82 HRH2 (0.52) HRH2HRH3ADORA2AADORA1KMT2A
SCHEMBL21313164 0.82 HRH3 (0.52) HRH2HRH3ADORA2AADORA1KMT2A
SCHEMBL12495822 0.81 HRH2 (0.51) HRH2HRH3ADORA2AADORA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
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
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 HRH2 494/4885HRH3 2511/4885ADORA2A 110/4885

“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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