SCHEMBL4138952

SCHEMBL4138952

CSC(C)(C)c1cc(N)n(-c2ccc(O)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
MEN1 O00255 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.37
LMNA P02545 5/20 0.37
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 5/20 0.35
CDK8 P49336 1/20 0.35
POLB P06746 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL4076195 0.85 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1MAPTCYP1A2
SCHEMBL1283896 0.84 CDK8 (0.47) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL4138408 0.79 LMNA (0.41) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL4075120 0.78 RAB9A (0.43) SMN1; SMN2RAB9ANPC1MAPTCYP1A2
SCHEMBL19388861 0.76 RAB9A (0.43) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL4078158 0.73 PTGS2 (0.44) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL11689824 0.73 CYP1A2 (0.68) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL4072416 0.71 ALDH1A1 (0.37) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL366727 0.71 NPC1 (0.60) SMN1; SMN2RAB9ANPC1KMT2AMAPT
Hydrochloric Acid SCHEMBL1504021 0.70 NPC1 (0.58) SMN1; SMN2RAB9ANPC1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1778686-B9 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2009-07-08 EP disclosed
US-7511057-B2 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. (US) 2009-03-31 US disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 SMN1; SMN2 4055/4885RAB9A 2552/4885NPC1 1088/4885
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PDXK, UMPS, CDK2 SMN1; SMN2 4091/4885RAB9A 2377/4885NPC1 4791/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 SMN1; SMN2 4290/4885RAB9A 2581/4885NPC1 934/4885

“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.