SCHEMBL4397849

SCHEMBL4397849

COc1cc2c(s1)CCNC2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.61
KCNH2 Q12809 1/20 0.37
RYR2 Q92736 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CD44 P16070 1/20 0.34
MAOB P27338 1/20 0.34
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL1038858 0.82 PNMT (0.56) PNMTTPSAB1TPSD1TPSG1ITGB3
SCHEMBL1444085 0.79 PNMT (0.61) PNMTKCNH2TPSAB1TPSD1TPSG1
SCHEMBL7527801 0.78 PNMT (0.51) PNMTKCNH2TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL1443367 0.78 PNMT (0.60) PNMTKCNH2TPSAB1TPSD1TPSG1
SCHEMBL3053106 0.77 PNMT (0.50) PNMTKCNH2TPSAB1TPSD1TPSG1
SCHEMBL9471965 0.76 PNMT (0.54) PNMTKCNH2TPSAB1TPSD1TPSG1
SCHEMBL15071934 0.76 PNMT (0.54) PNMTKCNH2TPSAB1TPSD1TPSG1
SCHEMBL18822929 0.76 PNMT (0.54) PNMTKCNH2TPSAB1TPSD1TPSG1
SCHEMBL6424327 0.76 PNMT (1.00) PNMTTPSAB1TPSD1TPSG1CD44
Hydrochloric Acid SCHEMBL14141606 0.75 PNMT (0.52) PNMTKCNH2TPSAB1TPSD1TPSG1

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
WO-2012052788-A1 METHOD FOR PREPARING PHARMACEUTICALLY ACTIVE INGREDIENT AND INTERMEDIATES THEREOF EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MŰKÖDŐ RÉSZVÉNYTÁRSASÁG (HU) 2012-04-26 WO disclosed
WO-2011110219-A1 A PROCESS FOR MAKING PRASUGREL SYNTHON BV (NL) 2011-09-15 WO disclosed
WO-2011077174-A1 PROCESS FOR PREPARING PHARMACEUTICAL COMPOUNDS AND INTERMEDIATE COMPOUNDS EGIS GYÓGYSZERGYÁR NYILÁNOSAN MŰKÖDŐ RÉSZVÉNYTÁRSASÁG (HU) 2011-06-30 WO disclosed
WO-2011077173-A1 IMPROVED PROCESS FOR PREPARING A PHARMACEUTICAL COMPOUND EGIS GYÓGYSZERGYÁR NYILÁNOSAN MŰKÖDŐ RÉSZVÉNYTÁRSASÁG (HU) 2011-06-30 WO disclosed
WO-2011029456-A1 A PROCESS FOR MAKING PRASUGREL AND ITS INTERMEDIATES SYNTHON BV (NL) 2011-03-17 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 (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 PNMT 1623/4885KCNH2 1013/4885RYR2 1846/4885
US-20120330018-A1 PROCESS FOR PREPARING PHARMACEUTICAL COMPOUNDS AND INTERMEDIATE COMPOUNDS CYP3A5, CYP4B1, P2RY6 PNMT 3798/4885KCNH2 630/4885RYR2 580/4885

“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.