SCHEMBL860647

SCHEMBL860647

Cc1ncn(C(C)C)c1C=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2B P29275 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
HCAR3 P49019 1/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK5 Q00535 1/20 0.30

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
SCHEMBL19296987 0.74 CDK1 (0.33) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL6070992 0.72
SCHEMBL23641661 0.72 ADORA2A (0.31) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL12368447 0.72 SMN1; SMN2 (0.39) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL13972322 0.71
SCHEMBL24614004 0.69 SMN1; SMN2 (0.39) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL24730813 0.68 SMN1; SMN2 (0.37) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL24885633 0.68 SMN1; SMN2 (0.37) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL17008868 0.68 SMN1; SMN2 (0.44) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL6124224 0.68 SMN1; SMN2 (0.37) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
EP-2432776-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS Chlorion Pharma, Inc. (CA) 2012-03-28 EP disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP SMN1; SMN2 741/4885ADORA2A 101/4885ADORA1 82/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP SMN1; SMN2 741/4885ADORA2A 101/4885ADORA1 82/4885

“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.