SCHEMBL600477

SCHEMBL600477

O=C(O)c1ccc(-n2ccnc2)nc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.61
CYP1A2 P05177 3/20 0.61
CYP2D6 P10635 3/20 0.61
CYP2C19 P33261 3/20 0.61
CYP2C9 P11712 2/20 0.61
KMT2A Q03164 1/20 0.61
ADH5 P11766 10/20 0.56
GAA P10253 1/20 0.55
LMNA P02545 1/20 0.55
BAZ2B Q9UIF8 1/20 0.47
P4HA1 P13674 2/20 0.46
P4HTM Q9NXG6 2/20 0.46
ALOX15 P16050 1/20 0.45
APEX1 P27695 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MIF P14174 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5280849 0.86 CYP3A4 (0.60) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL30317655 0.86 CYP3A4 (0.62) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL1976009 0.86 CYP3A4 (0.62) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL10759436 0.83 ADH5 (0.50) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL10469495 0.83 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL17352303 0.82 HTT (0.65) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL8297460 0.82 CYP3A4 (0.56) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL5306190 0.81 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL10757760 0.81 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL14822078 0.80 LMNA (0.53) CYP1A2CYP2C19CYP2C9LMNAP4HA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856179-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-05-13 EP disclosed
EP-4676547-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2026-01-14 EP disclosed
EP-4665331-A1 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2025-12-24 EP disclosed
US-12297209-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
EP-4077306-B1 COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2025-05-07 EP disclosed
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-04-08 US disclosed
US-20240360155-A1 Benzodiazepine Derivatives as RSV Inhibitors ENANTA PHARM INC (US) 2024-10-31 US disclosed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 US disclosed
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN disclosed
WO-2024186584-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-09-12 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
US-6140504-A Substituted intermediate compounds for the preparation of n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-31 US disclosed
US-6080767-A Substituted n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-27 US disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
CN-1236358-A Substituted N-[(aminoiminomethyl or aminomethyl) phenyl] propyl amides RHONE POULENC RORER PHARMA (US) 1999-11-24 CN disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO disclosed
US-4954494-A Cardiotonic and inotropic agents RORER PHARMACEUTICAL CORPORATION (US) 1990-09-04 US disclosed
WO-1989008108-A1 PYRIDYL-PYRIDAZINONE AND PYRIDYL-PYRAZOLINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONGESTIVE HEART FAILURE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-09-08 WO disclosed
US-4826835-A INOTROPIC AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1989-05-02 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 (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-20240360155-A1 Benzodiazepine Derivatives as RSV Inhibitors GABRA5, GABRA1, GABBR2 CYP3A4 24/4885CYP1A2 58/4885CYP2D6 82/4885
US-12297209-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 CYP3A4 24/4885CYP1A2 58/4885CYP2D6 82/4885
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ACE, ACE2, SPCS3 CYP3A4 3234/4885CYP1A2 4518/4885CYP2D6 4511/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP3A4 1831/4885CYP1A2 767/4885CYP2D6 625/4885

“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.