SCHEMBL6185933

SCHEMBL6185933

CCn1nnc2ccc(C=O)cc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.53
HCAR3 P49019 2/20 0.47
PTGER4 P35408 3/20 0.40
CYP2A6 P11509 2/20 0.39
KMO O15229 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A3 P47895 1/20 0.37
GRM2 Q14416 1/20 0.37
POLB P06746 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL17103242 0.79 SLC9A1 (0.57) SLC9A1HCAR3CYP2A6KMOMAPT
SCHEMBL2880296 0.78 SLC9A1 (0.48) SLC9A1HCAR3CYP2A6MAPTPOLB
SCHEMBL19848207 0.76 SLC9A1 (0.59) SLC9A1HCAR3KMOMAPTGRM2
SCHEMBL19848373 0.75 SLC9A1 (0.58) SLC9A1HCAR3GRM2
SCHEMBL11388453 0.75 POLB (0.48) CYP2A6MAPTPOLB
SCHEMBL20529652 0.75 SLC9A1 (0.58) SLC9A1HCAR3KMOMAPTGRM2
SCHEMBL19911600 0.75 SLC9A1 (0.58) SLC9A1HCAR3KMOMAPTGRM2
SCHEMBL31473638 0.75 SLC9A1 (0.58) SLC9A1HCAR3KMOMAPTGRM2
SCHEMBL6187604 0.74 HCAR3 (0.50) HCAR3CYP2A6
SCHEMBL6182902 0.73 HCAR3 (0.78) SLC9A1HCAR3KMOMAPT

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 SLC9A1 1389/4885HCAR3 495/4885PTGER4 570/4885

“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.