SCHEMBL5388050

SCHEMBL5388050

CCCN(CCC)CCNc1nccc(-c2c(-c3ccc(F)c(Cl)c3)nn3cc(C(F)(F)F)ccc23)n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.40
MAPK14 Q16539 1/20 0.38
BRAF P15056 1/20 0.37

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
SCHEMBL5386921 0.90 GSK3B (0.42) GSK3BBRAF
SCHEMBL5394728 0.90 MAPK14 (0.46) GSK3BMAPK14
SCHEMBL5378709 0.90 CCR4 (0.41) GSK3BMAPK14BRAF
SCHEMBL5379777 0.89 BRAF (0.42) GSK3BMAPK14BRAF
SCHEMBL5394720 0.89 BRAF (0.41) GSK3BMAPK14BRAF
SCHEMBL5379433 0.87 GSK3B (0.39) GSK3BMAPK14
SCHEMBL5386877 0.85 GSK3B (0.43) GSK3BBRAF
SCHEMBL5382444 0.84 GSK3B (0.39) GSK3BMAPK14
SCHEMBL5387996 0.84 MAPK14 (0.46) GSK3BMAPK14
SCHEMBL5378730 0.83 MKNK1 (0.39) GSK3BMAPK14

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
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
EP-1311507-B1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LTD (GB) 2006-03-01 EP disclosed
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-03-18 US 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-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors RAF1, SBK3, MAP3K3 GSK3B 326/4885MAPK14 77/4885BRAF 27/4885

“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.