SCHEMBL1914059

SCHEMBL1914059

CC(C)(C)[Si](C)(C)Oc1cc2c(s1)CCNC2.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 known ✓ P00742 1/20 0.35
PARP1 known ✓ P09874 1/20 0.31
PARP2 known ✓ Q9UGN5 1/20 0.31
PNMT P11086 10/20 0.39
HTR6 P50406 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 2/20 0.33
LMNA P02545 2/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7530391 0.87 PNMT (0.36) PNMTF10HTR6ADRA2AADRA2B
SCHEMBL7528283 0.85 PNMT (0.40) PNMTF10HTR6ADRA2AADRA2B
SCHEMBL3053106 0.84 PNMT (0.50) PNMTTPSAB1TPSD1TPSG1PARP1
SCHEMBL4058720 0.81 PNMT (0.46) PNMTF10HTR6ADRA2AADRA2B
SCHEMBL7531928 0.69 PNMT (0.44) PNMTTPSAB1TPSD1TPSG1PARP1
SCHEMBL15071934 0.66 PNMT (0.54) PNMTF10TPSAB1TPSD1TPSG1
SCHEMBL7527801 0.66 PNMT (0.51) PNMTTPSAB1TPSD1TPSG1PARP1
Hydrochloric Acid SCHEMBL14141606 0.65 PNMT (0.52) PNMTF10TPSAB1TPSD1TPSG1
Aziridine SCHEMBL5185484 0.65 ALDH1A1 (0.50) ALDH1A1TSHRCYP2D6LMNAKDM4E
SCHEMBL4397849 0.64 PNMT (0.61) PNMTTPSAB1TPSD1TPSG1PARP1

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-9169265-B2 Process for preparing pharmaceutical compounds and intermediate compounds EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2015-10-27 US disclosed
US-20130030183-A1 PROCESS FOR PREPARING A PHARMACEUTICAL COMPOUND EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2013-01-31 US disclosed
US-20120330018-A1 PROCESS FOR PREPARING PHARMACEUTICAL COMPOUNDS AND INTERMEDIATE COMPOUNDS EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2012-12-27 US disclosed
EP-2516447-A1 PROCESS FOR PREPARING PHARMACEUTICAL COMPOUNDS AND INTERMEDIATE COMPOUNDS Egis Gyógyszergyár Nyilvánosan Müködö Részvénytársaság (HU) 2012-10-31 EP disclosed
WO-2011077174-A1 PROCESS FOR PREPARING PHARMACEUTICAL COMPOUNDS AND INTERMEDIATE COMPOUNDS EGIS GYÓGYSZERGYÁR NYILÁNOSAN MŰKÖDŐ RÉSZVÉNYTÁRSASÁG (HU) 2011-06-30 WO disclosed
EP-0785205-B1 2-SILYLOXYTETRAHYDROTHIENOPYRIDINE, SALT THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES (JP) 2002-04-17 EP disclosed
US-5874581-A CHEMICAL INTERMEDIATE OF AN ANTIPLATELET MEDICINE AND AN ELASTASE INHIBITOR; REACTING A HALOSILANE AND A 2-OXO-4,5,6,7 -TETRAHYDROTHIENO(3,2-C)PYRIDINE IN THE PRESENCE OF A TERTIARY AMINE UBE INDUSTRIES, LTD. (JP) 1999-02-23 US disclosed
EP-0785205-A1 2-SILYLOXYTETRAHYDROTHIENOPYRIDINE, SALT THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 1997-07-23 EP 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 (2 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-20130030183-A1 PROCESS FOR PREPARING A PHARMACEUTICAL COMPOUND CYP3A5, CYP2C19, CYP4B1 F10 159/4885PARP1 81/4885PARP2 300/4885
US-20120330018-A1 PROCESS FOR PREPARING PHARMACEUTICAL COMPOUNDS AND INTERMEDIATE COMPOUNDS CYP3A5, CYP4B1, P2RY6 F10 642/4885PARP1 489/4885PARP2 832/4885

“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.