SCHEMBL5773898

SCHEMBL5773898

Cc1cccc(-c2nc(C3CCNCC3)[nH]c2-c2ccc3nnc(C(C)C)n3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.56
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
MAPK13 O15264 4/20 0.40
MAPK9 P45984 4/20 0.40
MAPK12 P53778 4/20 0.40
MAPK11 Q15759 4/20 0.40
RAF1 P04049 3/20 0.40
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
RPS6KA3 P51812 1/20 0.39
TGFBR1 P36897 1/20 0.39
BRAF P15056 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL5776972 0.83 MAPK14 (0.57) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL5774665 0.79 MAPK14 (0.60) MAPK14TGFBR1
SCHEMBL5776532 0.76 MAPK14 (0.54) MAPK14CSNK1DTGFBR1
SCHEMBL5796403 0.75 MAPK14 (0.58) MAPK14GABRA1GABRB2MAPK13MAPK9
SCHEMBL5769493 0.74 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL5773894 0.71 MAPK14 (0.62) MAPK14
SCHEMBL5775413 0.71 MAPK14 (0.52) MAPK14CSNK1DTGFBR1
SCHEMBL17154071 0.70 MAPK14 (0.59) MAPK14GABRA1GABRB2MAPK13MAPK9
SCHEMBL5836735 0.70 MAPK14 (0.75) MAPK14GABRA1GABRB2MAPK13MAPK9
SCHEMBL5836505 0.70 MAPK14 (0.79) MAPK14GABRA1GABRB2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370559-B1 TRIAZOLOPYRIDINES AS ANTI-INFLAMMATORY AGENTS PFIZER PROD INC (US) 2006-04-19 EP disclosed
US-6696464-B2 POTENT INHIBITORS OF MAP KINASES, PREFERABLY P38 KINASE; USEFUL IN TREATMENT OF INFLAMMATION, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, CANCER, REPERFUSION OR ISCHEMIA IN STROKE OR HEART ATTACK PFIZER INC 2004-02-24 US disclosed
EP-1370559-A1 TRIAZOLOPYRIDINES AS ANTI-INFLAMMATORY AGENTS Pfizer Products Inc. (US) 2003-12-17 EP disclosed
US-20030096838-A1 Novel triazolo-pyridines anti-inflammatory compounds PFIZER INC. 2003-05-22 US disclosed
WO-2002072579-A1 TRIAZOLOPYRIDINES AS ANTI-INFLAMMATORY AGENTS PFIZER PRODUCTS INC. (US) 2002-09-19 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 (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-20030096838-A1 Novel triazolo-pyridines anti-inflammatory compounds MAPK1, CNKSR1, JAK1 MAPK14 15/4885GABRA1 3355/4885GABRB2 3899/4885

“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.