SCHEMBL17106842

SCHEMBL17106842

CSc1ncnn2c([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.41
▸ PDE2A O00408 1/20 0.39
▸ PTPN1 P18031 8/20 0.37
▸ CDC25B P30305 8/20 0.37
▸ BCHE P06276 1/20 0.36
▸ PTPN2 P17706 4/20 0.36
▸ PTPN6 P29350 4/20 0.36
▸ PTPN11 Q06124 4/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ SSTR5 P35346 1/20 0.36
▸ TACR2 P21452 1/20 0.35
▸ NT5E P21589 1/20 0.35
▸ HSPA5 P11021 1/20 0.35
▸ GJB2 P29033 1/20 0.34

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
SCHEMBL17106843 1.00 HTR1A (0.41) HTR1APDE2APTPN1CDC25BBCHE
SCHEMBL24557909 0.93 PDE2A (0.43) HTR1APDE2APTPN1CDC25BBCHE
SCHEMBL29397234 0.93 PDE2A (0.43) HTR1APDE2APTPN1CDC25BBCHE
SCHEMBL21046783 0.86 HTR1A (0.40) HTR1APDE2APTPN1CDC25BBCHE
SCHEMBL21078687 0.86 HTR1A (0.40) HTR1APDE2APTPN1CDC25BBCHE
SCHEMBL22002160 0.86 HTR1A (0.41) HTR1APDE2APTPN1CDC25BBCHE
SCHEMBL17106778 0.86 HTR1A (0.41) HTR1APDE2APTPN1CDC25BBCHE
SCHEMBL29937697 0.86 HTR1A (0.41) HTR1APDE2APTPN1CDC25BBCHE
SCHEMBL17106780 0.86 HTR1A (0.41) HTR1APDE2APTPN1CDC25BBCHE
SCHEMBL19343951 0.86 HTR1A (0.41) HTR1APDE2APTPN1CDC25BBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — US disclosed
WO-2020210970-A1 IMIDAZOTRIAZINE DERIVATIVES AS CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — WO disclosed
US-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-01-04 — — US disclosed
US-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — US disclosed
US-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — US disclosed
EP-3122752-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-01 — — EP disclosed
WO-2015148746-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — WO disclosed
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — 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 (3 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-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT HTR1A 4006/4885PDE2A 1359/4885PTPN1 3398/4885
US-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 HTR1A 2118/4885PDE2A 431/4885PTPN1 922/4885
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT HTR1A 4006/4885PDE2A 1359/4885PTPN1 3398/4885

“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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