SCHEMBL6989832

SCHEMBL6989832

CCOC(=O)c1ccnc(SC)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 6/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SYK P43405 2/20 0.46
MAPT P10636 7/20 0.46
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
NUDT1 P36639 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 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
SCHEMBL15669110 0.84 CYP1A2 (0.51) CYP1A2ALDH1A1TDP1MEN1KMT2A
SCHEMBL31374459 0.82 NCOA1 (0.44) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL26113629 0.82 NCOA1 (0.44) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL1785258 0.82 L3MBTL1 (0.45) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL11536235 0.81 ALDH1A1 (0.39) CYP1A2ALDH1A1TDP1POLBMEN1
SCHEMBL751264 0.81 ALDH1A1 (0.38) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL13279457 0.80 ALDH1A1 (0.40) CYP1A2ALDH1A1TDP1POLBMEN1
SCHEMBL164477 0.79 CYP1A2 (0.61) CYP1A2ALDH1A1POLBMEN1KMT2A
SCHEMBL489624 0.79 CYP1A2 (0.61) CYP1A2ALDH1A1POLBMEN1KMT2A
SCHEMBL13279016 0.78 KMT2A (0.50) CYP1A2ALDH1A1TDP1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 EP disclosed
EP-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 EP disclosed
CN-107286135-B Heterocyclic compound with Wnt signal channel inhibition activity and application thereof 苏州云轩医药科技有限公司 2020-08-04 CN disclosed
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 US disclosed
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 US disclosed
US-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-10-22 US disclosed
US-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-10-22 US disclosed
US-20180244651-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2018-08-30 US disclosed
WO-2017062688-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2017-04-13 WO disclosed
WO-2017062688-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2017-04-13 WO disclosed
US-6570015-B2 Reacting alpha-keto ester with an isothiourea UBE INDUSTRIES, LTD. (JP) 2003-05-27 US disclosed
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate UBE INDUSTRIES, LTD. (JP) 2003-03-20 US disclosed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1079821-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-08-29 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
EP-1079821-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-07 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed
WO-1999059570-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 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 (4 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-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof WNT1, WNT3A, CTNNB1 CYP1A2 2852/4885ALDH1A1 1909/4885TDP1 4679/4885
US-20180244651-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 CYP1A2 2852/4885ALDH1A1 1909/4885TDP1 4679/4885
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 CYP1A2 2852/4885ALDH1A1 1909/4885TDP1 4679/4885
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate DHFR, TYMS, DPYD CYP1A2 59/4885ALDH1A1 273/4885TDP1 1144/4885

“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.