SCHEMBL2997568

SCHEMBL2997568

COc1ccc2c(C)ccnc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.59
ADRA1D P25100 3/20 0.59
ADRA1A P35348 3/20 0.59
ADRA1B P35368 3/20 0.59
TLR8 Q9NR97 3/20 0.58
FERMT2 Q96AC1 1/20 0.54
RIPK2 O43353 2/20 0.51
GAK O14976 1/20 0.51
COQ8A Q8NI60 1/20 0.51
NLK Q9UBE8 1/20 0.51
LMNA P02545 1/20 0.47
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
KDM4E B2RXH2 3/20 0.46
MAOA P21397 2/20 0.46
DYRK1A Q13627 2/20 0.46
DYRK3 O43781 1/20 0.46
CCNT1 O60563 1/20 0.46
CCNB2 O95067 1/20 0.46

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
SCHEMBL1496335 0.85 LMNA (0.59) HTR1AADRA1DADRA1AADRA1BTLR8
SCHEMBL8145365 0.83 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BTLR8
SCHEMBL5237941 0.82 GRM4 (0.48) HTR1AADRA1DADRA1AADRA1BTLR8
SCHEMBL3688152 0.82 MAOA (0.52) HTR1AADRA1DADRA1AADRA1BTLR8
SCHEMBL2996402 0.80 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BTLR8
SCHEMBL31298565 0.80 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BTLR8
SCHEMBL3841526 0.80 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BTLR8
SCHEMBL11772078 0.80 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BTLR8
SCHEMBL704734 0.80 TLR8 (0.61) HTR1AADRA1DADRA1AADRA1BTLR8
SCHEMBL201122 0.80 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BTLR8

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 CN disclosed
EP-4146344-A1 IMINO SULFANONE INHIBITORS OF ENPP1 Volastra Therapeutics, Inc. (US) 2023-03-15 EP disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
US-11446298-B2 Pyrimidine derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-20 US disclosed
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 WO disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
CN-1768054-A Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA SA (FR) 2006-05-03 CN disclosed
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2005035525-A2 2-AMIDO-4-ARYLOXY-1-CARBONYLPYRROLIDINE DERIVATIVES AS INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-04-21 WO disclosed
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-09 US disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 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 (4 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 HTR1A 2850/4885ADRA1D 3743/4885ADRA1A 4272/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 HTR1A 2850/4885ADRA1D 3743/4885ADRA1A 4272/4885
US-11446298-B2 Pyrimidine derivatives PTGER1, PTGER4, PTGER2 HTR1A 172/4885ADRA1D 192/4885ADRA1A 114/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA HTR1A 4386/4885ADRA1D 2287/4885ADRA1A 2654/4885

“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.