SCHEMBL599672

SCHEMBL599672

c1ccc(CSn2cnc3ccccc32)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2E1 P05181 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ TNF P01375 1/20 0.38
▸ CYP11B1 P15538 1/20 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
SCHEMBL6529410 0.79 CYP11B1 (0.53) TDP1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9060998 0.75 TDP1 (0.48) TDP1SMN1; SMN2LMNATSHRTNF
SCHEMBL8413080 0.75 TDP1 (0.48) POLBTDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL10873867 0.74 KCNMA1 (0.43) TDP1CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL9460847 0.73 POLB (0.40) POLBTDP1SMN1; SMN2NPC1LMNA
SCHEMBL11451311 0.72 TDP1 (0.46) POLBTDP1SMN1; SMN2LMNATSHR
SCHEMBL10962344 0.72 POLB (0.49) POLBMKNK1MKNK2TDP1CYP1A2
SCHEMBL8792548 0.72 TDP1 (0.46) TDP1SMN1; SMN2LMNATSHRTNF
SCHEMBL6530090 0.72 TDP1 (0.46) POLBTDP1SMN1; SMN2NPC1LMNA
SCHEMBL4313381 0.72 CYP11B1 (0.62) TDP1SMN1; SMN2LMNAALDH1A1TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889873-B2 Process for the preparation of enantiomerically enriched proton pump inhibitors LEK PHARMACEUTICALS D.D. (SI) 2014-11-18 — — US disclosed
US-20120046319-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED PROTON PUMP INHIBITORS LEK PHARMACEUTICALS D.D. (SI) 2012-02-23 — — US disclosed
EP-2420500-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION aRigen Pharmaceuticals, Inc. (JP) 2012-02-22 — — EP disclosed
US-20120041030-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION LINK GENOMICS, INC. (JP) 2012-02-16 — — US disclosed
EP-2350050-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED PROTON PUMP INHIBITORS LEK Pharmaceuticals d.d. (SI) 2011-08-03 — — EP disclosed
EP-2264024-A1 Process for the preparation of enantiomerically enriched proton pump inhibitors LEK Pharmaceuticals d.d. (SI) 2010-12-22 — — EP disclosed
WO-2010043601-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED PROTON PUMP INHIBITORS LEK PHARMACEUTICALS D.D. (SI) 2010-04-22 — — WO disclosed
EP-1466897-B1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group in the presence of epsilon-phthalimidoperhexanoic acid DIPHARMA FRANCIS SRL (IT) 2008-12-17 — — EP disclosed
CN-1767817-A Oral pharmaceutical formulation for proton pump antagonists ALTANA PHARMA AG (DE) 2006-05-03 — — CN disclosed
US-6998490-B2 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group DINAMITE DIPHARMA S.P.A. (IT) 2006-02-14 — — US disclosed
EP-1466897-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group in the presence of epsilon-phthalimidoperhexanoic acid Dipharma S.p.A. (IT) 2004-10-13 — — EP disclosed
US-20040192929-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group DINAMITE DIPHARMA S.P.A. ABBREVIATED DIPHARMA S.P.A. 2004-09-30 — — 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-20120041030-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION TPMT, TST, PTPN11 POLB 3346/4885MKNK1 3284/4885MKNK2 3148/4885
US-20040192929-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group STS, MPST, SULT2A1 POLB 3802/4885MKNK1 3244/4885MKNK2 3237/4885
US-20120046319-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED PROTON PUMP INHIBITORS PPOX, HPD, HRH2 POLB 648/4885MKNK1 2931/4885MKNK2 3522/4885

“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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