SCHEMBL316609

SCHEMBL316609

CN([C]=O)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 4/20 0.41
CHRM2 P08172 3/20 0.41
ADRA2A P08913 3/20 0.41
DRD1 P21728 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
KCNH2 Q12809 3/20 0.41
ADRA1A P35348 2/20 0.41
ADRA2B P18089 2/20 0.41
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.41
ADRA2C P18825 1/20 0.41
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5113337 0.78 CYP2D6 (0.42) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
SCHEMBL1448809 0.77 CYP2D6 (0.41) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
SCHEMBL29933293 0.75 CYP2D6 (0.48) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
SCHEMBL12574809 0.75 CYP2D6 (0.48) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
SCHEMBL29635663 0.75
SCHEMBL231127 0.75 CYP2D6 (0.57) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
SCHEMBL6644008 0.75 KMT2A (0.32) TSHRATMKMT2A
SCHEMBL364 0.75
SCHEMBL1185718 0.75 CYP2D6 (0.44) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A
SCHEMBL1186136 0.75 CYP2D6 (0.41) CYP2D6CYP2C19ALDH1A1CHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402595-B2 Enzyme inhibitors with isoquinolinone structures TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-22 US claimed
US-20050148624-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US claimed
EP-1484320-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2004-12-08 EP claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
JP-2002539201-A 2002-11-19 JP claimed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US claimed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP claimed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP claimed
US-5707989-A ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES DR. KARL THOMAE GMBH (DE) 1998-01-13 US claimed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
EP-3237410-B1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2020-12-16 EP disclosed
US-10273231-B2 Azoline compounds substituted by a condensed ring system BASF SE (DE) 2019-04-30 US disclosed
US-20190040050-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2019-02-07 US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US disclosed
EP-0465368-A1 Sulfur derivatives of imidazole, process for their preparation, intermediates, their use as medicaments, and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-01-08 EP disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed
US-4921855-A New Histidyl amino acid derivatives, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-01 US disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 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 (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-20190040050-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM CUL5, CUL1, CUL3 CYP2D6 1262/4885CYP2C19 576/4885ALDH1A1 1791/4885
US-20050148624-A1 Jnk inhibitor MAPK3, MAPKAPK3, MAPK1 CYP2D6 2177/4885CYP2C19 2406/4885ALDH1A1 4549/4885
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CYP2D6 2574/4885CYP2C19 1822/4885ALDH1A1 3027/4885
US-10273231-B2 Azoline compounds substituted by a condensed ring system CUL5, CUL1, CUL3 CYP2D6 1262/4885CYP2C19 576/4885ALDH1A1 1791/4885

“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.