SCHEMBL16757104

SCHEMBL16757104

Nc1ccn(C(=O)c2ccc(Br)cc2)c(=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ F12 P00748 2/20 0.39
▸ F2 P00734 2/20 0.39
▸ BCHE P06276 1/20 0.38
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ MGAM O43451 1/20 0.36
▸ AMY1A P0DUB6 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RAB9A P51151 2/20 0.36

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
SCHEMBL16756982 0.84 F2 (0.51) HPGDF2BCHERAB9AKMT2A
SCHEMBL210468 0.84 RAB9A (0.51) HPGDF12F2BCHETSHR
SCHEMBL7635955 0.81 PLAU (0.45) HPGDRAB9AKMT2AMEN1NPC1
SCHEMBL5983023 0.81 KMT2A (0.55) HPGDF12F2BCHECES2
SCHEMBL16756835 0.80 TSHR (0.45) F12BCHECES1CA1CA2
SCHEMBL4320783 0.75 KMT2A (0.49) F12F2BCHECA1CA2
SCHEMBL10679054 0.74 LMNA (0.38) TSHRFGFR1LMNA
SCHEMBL27819780 0.74 PARP1 (0.43) FGFR1LMNA
SCHEMBL17541934 0.74 PLA2G7 (0.46) HPGDCES2CES1CA1CA2
SCHEMBL21186 0.73 NOTUM (0.43) FGFR1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3109246-B1 THIOPYRANOSE COMPOUND AND METHOD FOR PRODUCING SAME FUJIFILM CORP (JP) 2021-11-03 — — EP disclosed
EP-3184112-B1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE FUJIFILM CORP (JP) 2020-12-23 — — EP disclosed
CN-107011168-B Synthesis intermediates of cytosines and synthesis intermediates of thionucleosides 富士胶片株式会社 2020-06-09 — — CN disclosed
US-10570112-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2020-02-25 — — US disclosed
US-20180327377-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2018-11-15 — — US disclosed
US-10093645-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2018-10-09 — — US disclosed
US-9815812-B2 Thiopyranose compound and method for producing same FUJIFILM CORPORATION (JP) 2017-11-14 — — US disclosed
EP-3184112-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-SS-D-ARABINOFURANOSYL)CYTOSINE Fujifilm Corporation (JP) 2017-06-28 — — EP disclosed
EP-3109246-A1 THIOPYRANOSE COMPOUND AND METHOD FOR PRODUCING SAME Fujifilm Corporation (JP) 2016-12-28 — — EP disclosed
US-20160362389-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2016-12-15 — — US disclosed
US-20160355497-A1 THIOPYRANOSE COMPOUND AND METHOD FOR PRODUCING SAME FUJIFILM CORPORATION (JP) 2016-12-08 — — US disclosed
US-9475835-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl) cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2016-10-25 — — US disclosed
US-20160024132-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL) CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2016-01-28 — — US disclosed
US-9221865-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2015-12-29 — — US disclosed
US-9187514-B2 — — 2015-11-17 — — US disclosed
EP-2883866-A1 INTERMEDIATE FOR SYNTHESIS OF 1-(2-DEOXY-2-FLUORO-4-THIO-beta-D-ARABINOFURANOSYL) CYTOSINE, INTERMEDIATE FOR SYNTHESIS OF THIONUCLEOSIDE, AND METHODS FOR PRODUCING THESE INTERMEDIATES FUJIFILM Corporation (JP) 2015-06-17 — — EP disclosed
US-20150152131-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2015-06-04 — — 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 (7 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-20150152131-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B HPGD 2718/4885F12 1384/4885F2 1783/4885
US-20160024132-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL) CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B HPGD 2718/4885F12 1384/4885F2 1783/4885
US-10093645-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same TYMS, TYMP, RRM2B HPGD 2710/4885F12 1418/4885F2 1819/4885
US-10570112-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same TYMS, TYMP, RRM2B HPGD 2710/4885F12 1418/4885F2 1819/4885
US-20160362389-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B HPGD 2718/4885F12 1384/4885F2 1783/4885
US-20180327377-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B HPGD 2718/4885F12 1384/4885F2 1783/4885
US-20160355497-A1 THIOPYRANOSE COMPOUND AND METHOD FOR PRODUCING SAME TST, TPMT, CTPS1 HPGD 233/4885F12 1315/4885F2 535/4885

“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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