SCHEMBL859593

SCHEMBL859593

Cc1cc(O)nc(SCc2c(Cl)nc3ccccn23)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.41
GLA P06280 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 4/20 0.39
HPGD P15428 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL16743431 0.92 KDM4E (0.54) KDM4EALDH1A1GLAL3MBTL1HSD17B10
SCHEMBL844692 0.89 HSD17B10 (0.42) KDM4EALDH1A1GLAL3MBTL1HSD17B10
SCHEMBL859477 0.84 ALDH1A1 (0.50) KDM4EALDH1A1GLAL3MBTL1HSD17B10
SCHEMBL16743428 0.80 ALDH1A1 (0.48) KDM4EALDH1A1GLAL3MBTL1HSD17B10
SCHEMBL859972 0.78 DYRK1A (0.52) KDM4EALDH1A1HSD17B10MAPTHTT
SCHEMBL17002038 0.75 L3MBTL1 (0.39) KDM4EALDH1A1L3MBTL1MAPTHTT
SCHEMBL16998590 0.74 ALDH1A1 (0.55) KDM4EALDH1A1GLAL3MBTL1HSD17B10
SCHEMBL859672 0.74 RAB9A (0.60) KDM4EALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL860249 0.73 KDM4E (0.36) KDM4EALDH1A1L3MBTL1MAPTHTT
SCHEMBL862123 0.73 KDM4E (0.36) KDM4EALDH1A1MAPTHTTCYP1A2

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 KDM4E 3841/4885ALDH1A1 577/4885GLA 1706/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP KDM4E 3841/4885ALDH1A1 577/4885GLA 1706/4885

“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.