SCHEMBL4406750

SCHEMBL4406750

O=c1[nH]c(=O)c2ncsc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
BLM P54132 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PMP22 Q01453 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
PABPC1 P11940 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
GDA Q9Y2T3 2/20 0.34
ACHE P22303 1/20 0.34
DAO P14920 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL10907718 0.80 MEN1 (0.46) CSNK2A1KDM4EALDH1A1BLMTDP1
SCHEMBL12834792 0.74
SCHEMBL1560836 0.69 PARP1 (0.51) KDM4EALDH1A1BLMTDP1PMP22
SCHEMBL17819122 0.67 DAO (0.39) CSNK2A1KDM4EALDH1A1BLMTDP1
SCHEMBL1192740 0.67 CNOT7 (0.49) CSNK2A1KDM4EALDH1A1BLMTDP1
SCHEMBL1551529 0.65 CSNK2A1 (0.41) CSNK2A1PDPK1CNOT7
SCHEMBL8278863 0.63 MAPK1 (0.43) KDM4EALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL31750592 0.62 BLM (0.43) CSNK2A1KDM4EALDH1A1BLMTDP1
SCHEMBL31149845 0.62 KDM4E (0.46) CSNK2A1KDM4EALDH1A1BLMTDP1
SCHEMBL1195067 0.61 MAPK1 (0.39) KDM4EALDH1A1BLMTDP1PMP22

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-08-05 US claimed
EP-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP claimed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 EP claimed
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-11279719-B2 Substituted bicyclic pyrimidine-based compounds and compositions and uses thereof Tsantrizos, Youla S. (CA) 2022-03-22 US disclosed
WO-2021129737-A1 COMPOUND HAVING KHK INHIBITORY EFFECT 南京明德新药研发有限公司 2021-07-01 WO disclosed
WO-2018137036-A1 SUBSTITUTED BICYCLIC PYRIMIDINE-BASED COMPOUNDS AND COMPOSITIONS AND USES THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) 2018-08-02 WO disclosed
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-07-03 US disclosed
US-20170258795-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE THERAPEUTICS, INC. 2017-09-14 US disclosed
EP-3208270-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX Cleave Biosciences, Inc. (US) 2017-08-23 EP disclosed
US-7893060-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase F. HOFFMANN-LA ROCHE AG (GB) 2011-02-22 US disclosed
US-7893060-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase F. HOFFMANN-LA ROCHE AG (GB) 2011-02-22 US disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 US disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 US disclosed
WO-2008152390-A1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
US-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-08-05 US disclosed
EP-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP disclosed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 EP disclosed
US-5998423-A IN SKIN OR HAIR; ADMINISTERING ADENOSINE RECEPTOR ANTAGONIST THERASYS, INC. (US) 1999-12-07 US 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 (6 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-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist ADORA2A, ADORA1, ADORA2B CSNK2A1 602/4885KDM4E 4617/4885ALDH1A1 336/4885
US-20170258795-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 CSNK2A1 900/4885KDM4E 3818/4885ALDH1A1 2774/4885
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE PDPK1, PIK3CA, PI4KA CSNK2A1 368/4885KDM4E 2894/4885ALDH1A1 1436/4885
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT KHK, KHDRBS1, KHSRP CSNK2A1 177/4885KDM4E 641/4885ALDH1A1 2922/4885
US-11279719-B2 Substituted bicyclic pyrimidine-based compounds and compositions and uses thereof GGPS1, TYMP, FDPS CSNK2A1 1651/4885KDM4E 4177/4885ALDH1A1 3329/4885
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex PSMG3, PSME1, PSMB1 CSNK2A1 900/4885KDM4E 3818/4885ALDH1A1 2774/4885

“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.