SCHEMBL3218972

SCHEMBL3218972

CCOC(=O)NC(=S)Nc1cc(Br)ccn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.53
RAB9A P51151 8/20 0.53
MAPT P10636 5/20 0.52
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.45
MEN1 O00255 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 3/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL28698577 0.88 PIK3C3 (0.48) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL15536991 0.86 MAPT (0.51) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL22148177 0.85 RIOK2 (0.51) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL31748813 0.83 ALDH1A1 (0.67) NPC1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL169974 0.82 MAPT (0.62) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4061488 0.81 NPC1 (0.64) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL16439336 0.81 MAPT (0.51) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL23727258 0.81 MAPT (0.51) NPC1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL31489852 0.79 MAPT (0.49) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL27038581 0.79 MAPT (0.49) NPC1RAB9AMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023009708-A1 HETEROARYLOXY TRIAZOLO- AND IMIDAZO-AZINES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 EP disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
WO-2010018131-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010007100-A1 7-SUBSTITUTED AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2010-01-21 WO disclosed
WO-2010007100-A1 7-SUBSTITUTED AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2010-01-21 WO disclosed
US-7524860-B2 Antibacterial agents PFIZER INC. (US) 2009-04-28 US disclosed
US-7524860-B2 Antibacterial agents PFIZER INC. (US) 2009-04-28 US disclosed
US-20080021059-A1 Antibacterial Agents PFIZER INC. (US) 2008-01-24 US disclosed
US-20080021059-A1 Antibacterial Agents PFIZER INC. (US) 2008-01-24 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 (3 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-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE5A, PDE3A, PDE3B NPC1 3673/4885RAB9A 492/4885MAPT 3604/4885
US-20080021059-A1 Antibacterial Agents CLPP, QDPR, CLSPN NPC1 2564/4885RAB9A 2278/4885MAPT 3993/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT NPC1 3065/4885RAB9A 3316/4885MAPT 2724/4885

“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.