SCHEMBL3977790

SCHEMBL3977790

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.42
MAPK12 P53778 8/20 0.42
MAPK11 Q15759 8/20 0.42
MAPK14 Q16539 8/20 0.42
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
ACLY P53396 1/20 0.34
NTRK1 P04629 2/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
SORT1 Q99523 1/20 0.33
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
DDR2 Q16832 1/20 0.32
RIPK1 Q13546 1/20 0.32
NOTUM Q6P988 1/20 0.32
ADCY8 P40145 1/20 0.32
HTR2B P41595 1/20 0.32
ADCY1 Q08828 1/20 0.32

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
SCHEMBL3977193 0.91 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14ACLY
SCHEMBL3974075 0.88 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14ACLY
SCHEMBL3971185 0.87 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14ACLY
SCHEMBL3980188 0.84 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14ACLY
SCHEMBL3975140 0.80 MAPK14 (0.41) MAPK13MAPK12MAPK11MAPK14NTRK1
SCHEMBL3979961 0.80 MAPK14 (0.39) MAPK13MAPK12MAPK11MAPK14ACLY
SCHEMBL3972865 0.78 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL3975372 0.78 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14NTRK1
SCHEMBL3978605 0.78 DHODH (0.46) MAPK13MAPK12MAPK11MAPK14DHODH
SCHEMBL3975282 0.78 MAPK14 (0.42) 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.