SCHEMBL3974075

SCHEMBL3974075

CCC(C)(C)c1cc(Nc2nc(C)ccc2C(=O)O)n(-c2cccc(OC)c2C)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
MAPK14 Q16539 3/20 0.41
RAF1 P04049 5/20 0.36
BRAF P15056 7/20 0.35
GFER P55789 1/20 0.34
NR3C1 P04150 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.34
PDE10A Q9Y233 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
ACLY P53396 1/20 0.33

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
SCHEMBL3972865 0.91 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL3974174 0.88 HTT (0.46) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL3977790 0.88 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL3979961 0.87 MAPK14 (0.39) MAPK13MAPK12MAPK11MAPK14GFER
SCHEMBL3971185 0.86 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL3980188 0.83 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14ACLY
SCHEMBL3975372 0.80 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL3974138 0.80 MEN1 (0.48) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL3979442 0.79 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL3977193 0.78 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-01 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 (2 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-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes GPR119, GOT2, IAPP MAPK13 1918/4885MAPK12 2241/4885MAPK11 2727/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP MAPK13 1918/4885MAPK12 2241/4885MAPK11 2727/4885

“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.