SCHEMBL6160182

SCHEMBL6160182

C[SiH](C)OC(CC(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
IDO1 P14902 2/20 0.36
TDO2 P48775 1/20 0.36
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 3/20 0.31
CYP2D6 P10635 3/20 0.31
SLC6A3 Q01959 3/20 0.31
KCNH2 Q12809 1/20 0.31
CTSA P10619 1/20 0.30
AGXT P21549 1/20 0.30
MBTD1 Q05BQ5 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30

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
SCHEMBL5871988 0.81 CYP1A2 (0.33) SLC6A2SLC6A4ALDH1A1CYP3A4CYP2D6
SCHEMBL7310726 0.76 IDO1 (0.39) SLC6A2SLC6A4IDO1TDO2ALDH1A1
SCHEMBL7765110 0.74 GAA (0.32)
SCHEMBL1419641 0.72 GBA1 (0.47) IDO1TDO2ALDH1A1MAPK1AGXT
SCHEMBL14725902 0.72 IDO1 (0.38) SLC6A2SLC6A4IDO1TDO2ALDH1A1
SCHEMBL9701751 0.72
SCHEMBL7809974 0.72 IDO1 (0.33) IDO1TDO2ALDH1A1CYP3A4
SCHEMBL5872179 0.70 MEN1 (0.37)
SCHEMBL28463867 0.68 SLC6A4 (0.46) SLC6A2SLC6A4IDO1TDO2ALDH1A1
SCHEMBL8879657 0.68 TYR (0.42) ALDH1A1

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-6979693-B2 Pyrazole derivatives-p38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-12-27 US disclosed
EP-1075467-B1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
US-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2003-01-23 US disclosed
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-10-24 US disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 US disclosed
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-08-01 US disclosed
EP-1218346-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-07-03 EP disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
WO-2001021591-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-29 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 (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-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 SLC6A2 4238/4885SLC6A4 4033/4885IDO1 3437/4885
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors MAPK1, MAPK8, MAPKAPK2 SLC6A2 4113/4885SLC6A4 3946/4885IDO1 3154/4885
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 SLC6A2 4238/4885SLC6A4 4033/4885IDO1 3437/4885

“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.