SCHEMBL50204

SCHEMBL50204

CC(=O)Nc1c(C)nn(C)c1C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RIPK1 Q13546 1/20 0.46
NR2F2 P24468 1/20 0.41

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
SCHEMBL21737579 0.82 GAA (0.44) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL19556424 0.79 KDM4E (0.41) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL12156243 0.79 GAA (0.56) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL12788582 0.79 GAA (0.56) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL12846945 0.79 GAA (0.70) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL20037038 0.79 GAA (0.70) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL13683148 0.78 GAA (0.44) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL16200267 0.76 GAA (0.38) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL20037056 0.76 GAA (0.60) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL21719809 0.75 CYP2C19 (0.45) GAAALDH1A1TSHRHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270209-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. 2025-08-28 US disclosed
US-8962551-B2 Quinoxalinyl derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
EP-2303861-B1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2014-04-23 EP disclosed
US-8569298-B2 Pyridine compounds ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP disclosed
US-20110166139-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2011-07-07 US disclosed
EP-2303861-A1 PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2011-04-06 EP disclosed
US-20110059953-A1 COMPOUNDS FOR USE IN STABILIZING P53 MUTANTS MEDICAL RESEARCH COUNCIL (GB) 2011-03-10 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
WO-2009153589-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-6936630-B2 Substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents WYETH (US) 2005-08-30 US disclosed
US-20040127526-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents WYETH 2004-07-01 US disclosed
US-6686476-B2 ANTICHOILESTEROL AGENTS; CARDIOVASCULAR DISORDERS WYETH 2004-02-03 US disclosed
US-20030013747-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents WYETH 2003-01-16 US disclosed
US-6455566-B1 Substituted 1-aryl-3-heteroaryl-thioureas (or isothioureas) as antiatherosclerotic agents WYETH 2002-09-24 US disclosed
WO-1999011638-A1 SUBSTITUTED 1-ARYL-3- HETEROARYL-THIOUREAS AND SUBSTITUTED 1-ARYL-3-HETEROARYL-ISOTHIOUREAS AS ANTIATHEROSCLEROTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-03-11 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 (6 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-20090180981-A1 QUINOXALINYL DERIVATIVES SQOR, ATG4A, NQO1 GAA 236/4885ALDH1A1 746/4885TSHR 4864/4885
US-20030013747-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents CBR1, LDLR, HMGCR GAA 3175/4885ALDH1A1 740/4885TSHR 406/4885
US-20040127526-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents CBR1, LDLR, HMGCR GAA 3175/4885ALDH1A1 740/4885TSHR 406/4885
US-20110059953-A1 COMPOUNDS FOR USE IN STABILIZING P53 MUTANTS TP53, TP53BP1, MDM2 GAA 4749/4885ALDH1A1 3561/4885TSHR 942/4885
US-20110166139-A1 PYRIDINE COMPOUNDS PTK2, PTK2B, PFKP GAA 3290/4885ALDH1A1 2505/4885TSHR 4735/4885
US-20250270209-A1 LRRK2 INHIBITORS LRRK2, PARK7, PINK1 GAA 185/4885ALDH1A1 2142/4885TSHR 4664/4885

“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.