SCHEMBL6204009

SCHEMBL6204009

c1ccc(-c2ccc3[nH]nnc3c2-c2nccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
CYP2A6 P11509 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CDC7 O00311 1/20 0.35
ADORA1 P30542 2/20 0.34
ADORA2A P29274 1/20 0.34
KDR P35968 1/20 0.34
SLC11A2 P49281 1/20 0.34
MAT2A P31153 1/20 0.34
METAP1 P53582 1/20 0.33
GRM4 Q14833 1/20 0.33
MAPK8 P45983 1/20 0.33
DPP4 P27487 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL27412736 0.80 AKT2 (0.38) DPP4
SCHEMBL6205377 0.75 NISCH (0.49) KDRMAPK8DPP4
SCHEMBL6202858 0.75 METAP2 (0.31) DPP4
SCHEMBL8414960 0.75 METAP1 (0.41) PDPK1CYP2A6ADORA1ADORA2AMETAP1
SCHEMBL6203915 0.74 HPGDS (0.41) KDRMAPK8DPP4HPGD
SCHEMBL28438620 0.74 PDPK1 (0.63) PDPK1CYP2A6PTGDR2ADORA1ADORA2A
SCHEMBL6052010 0.72 HDAC4 (0.39) DPP4HPGD
SCHEMBL5796207 0.72 PDPK1 (0.45) PDPK1CYP2A6PTGDR2CDC7ADORA1
SCHEMBL9171828 0.71 HDAC4 (0.38) DPP4HPGD
SCHEMBL6203712 0.70 MAP4K1 (0.34) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1247810-B1 Novel benzotriazoles anti-inflammatory compounds PFIZER PROD INC (US) 2005-09-07 EP disclosed
US-6664395-B2 Benzotriazole compoundsn are the potent inhibitors of MAP kinases, preferably p38 kinase. They are useful for treating inflammation, osteoarthritis, rheumatoid arthritis, cancer, reperfusion, ischemia PFIZER INC 2003-12-16 US disclosed
US-20030078432-A1 Novel benzotriazoles anti-inflammatory compounds PFIZER INC. 2003-04-24 US disclosed
EP-1247810-A1 Novel benzotriazoles anti-inflammatory compounds Pfizer Products Inc. (US) 2002-10-09 EP 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 (1 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-20030078432-A1 Novel benzotriazoles anti-inflammatory compounds MAPK1, JAK1, RUNX1 PDPK1 2327/4885CYP2A6 1520/4885PTGDR2 399/4885

“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.