SCHEMBL6187604

SCHEMBL6187604

CC(C)n1nnc2ccc(C=O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.50
HPGD P15428 2/20 0.50
HCAR2 Q8TDS4 1/20 0.50
MAPK14 Q16539 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNT1 O60563 8/20 0.39
CDK9 P50750 8/20 0.39
CDK1 P06493 3/20 0.39
CDK6 Q00534 3/20 0.39
CDK2 P24941 2/20 0.39
CYP2A6 P11509 2/20 0.39
CDK4 P11802 1/20 0.39
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
TYR P14679 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL1021716 0.87 HCAR3 (0.57) HCAR3HPGDHCAR2MAPK14ALDH1A1
SCHEMBL2880296 0.78 SLC9A1 (0.48) HCAR3HPGDSMN1; SMN2CYP2A6
SCHEMBL12796756 0.76 HCAR3 (0.51) HCAR3HPGDHCAR2MAPK14ALDH1A1
SCHEMBL19848372 0.75 MAPK14 (0.58) HCAR3HPGDHCAR2MAPK14ALDH1A1
SCHEMBL21522658 0.75 HCAR3 (0.50) HCAR3HPGDHCAR2MAPK14ALDH1A1
SCHEMBL18716443 0.75 HCAR3 (0.50) HCAR3HPGDHCAR2MAPK14ALDH1A1
SCHEMBL11388453 0.75 POLB (0.48) ALDH1A1CYP2A6
SCHEMBL20665063 0.75 HPGD (0.50) HCAR3HPGDHCAR2MAPK14ALDH1A1
SCHEMBL19911602 0.75 HCAR3 (0.50) HCAR3HPGDHCAR2MAPK14ALDH1A1
SCHEMBL30888932 0.75 HCAR3 (0.50) HCAR3HPGDHCAR2MAPK14ALDH1A1

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 HCAR3 495/4885HPGD 1292/4885HCAR2 209/4885

“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.