SCHEMBL4714412

SCHEMBL4714412

CC(C)(C)n1nc(-c2ccccc2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.54
HPGD P15428 3/20 0.54
RAB9A P51151 8/20 0.48
ALDH1A1 P00352 8/20 0.48
NPC1 O15118 7/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 4/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
STAT1 P42224 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.46
LMNA P02545 1/20 0.45
STAT3 P40763 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3661525 0.84 SMN1; SMN2 (0.58) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL4472873 0.83 RAB9A (0.58) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL4475058 0.82 MEN1 (0.46) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL4494427 0.82 SMN1; SMN2 (0.44) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL4474644 0.80 NPY5R (0.44) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL4494474 0.80 ALDH1A1 (0.52) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL5287237 0.80 NPC1 (0.48) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL23400674 0.79 P2RY6 (0.43) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL5287227 0.79 P2RY6 (0.43) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL2160020 0.78 KDM4E (0.45) SMN1; SMN2HPGDRAB9AALDH1A1NPC1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031556-B Synthetic method for preparing 5-amino-N-aryl-3-arylpyrazole compound by green one-pot method 温州大学 2023-03-31 CN claimed
CN-114031556-B Synthetic method for preparing 5-amino-N-aryl-3-arylpyrazole compound by green one-pot method 温州大学 2023-03-31 CN disclosed
US-11312722-B2 Hsp90 inhibitors and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-26 US disclosed
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 US disclosed
EP-2078002-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
US-8227605-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors SCHERING CORPORATION (US) 2012-07-24 US disclosed
US-8227605-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors SCHERING CORPORATION (US) 2012-07-24 US disclosed
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-7485658-B2 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
EP-1641454-B1 PYRAZOLO[3,4-B]PYRIDIN-6-ONES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2008-10-01 EP disclosed
US-20080221187-A9 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2008-09-11 US disclosed
WO-2008054701-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-08 WO disclosed
US-7300943-B2 GSK-3 inhibitors PFIZER INC. (US) 2007-11-27 US disclosed
EP-1641454-A1 PYRAZOLO[3,4-B]PYRIDIN-6-ONES AS GSK-3 INHIBITORS Pfizer Products Inc. (US) 2006-04-05 EP disclosed
US-20050026946-A1 GSK-3 inhibitors PFIZER INC 2005-02-03 US disclosed
WO-2005000303-A1 PYRAZOLO`3,4-B!PYRIDIN-6-ONES AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-01-06 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 (5 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-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 SMN1; SMN2 3576/4885HPGD 3349/4885RAB9A 4517/4885
US-20080221187-A9 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors KIT, TNNI3K, CHUK SMN1; SMN2 2965/4885HPGD 756/4885RAB9A 977/4885
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF HSP90AB1, HSP90B1, HSP90AA1 SMN1; SMN2 4707/4885HPGD 947/4885RAB9A 1480/4885
US-20050026946-A1 GSK-3 inhibitors GSK3B, GSK3A, GSKIP SMN1; SMN2 2649/4885HPGD 2683/4885RAB9A 2757/4885
US-11312722-B2 Hsp90 inhibitors and uses thereof HSP90AB1, HSP90B1, HSP90AA1 SMN1; SMN2 4707/4885HPGD 947/4885RAB9A 1480/4885

“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.