SCHEMBL3971185

SCHEMBL3971185

CCC(C)(C)c1cc(Nc2nc(C)ccc2C(=O)O)n(-c2ccccc2C)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.48
MAPK13 O15264 7/20 0.48
MAPK12 P53778 7/20 0.48
MAPK11 Q15759 7/20 0.48
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA1 P30542 4/20 0.40
NTRK1 P04629 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
ACLY P53396 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 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
SCHEMBL3975372 0.91 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3980494 0.90 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3982491 0.90 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3980188 0.89 MAPK13 (0.43) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL3977790 0.87 MAPK13 (0.42) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL3974739 0.86 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3974075 0.86 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3975267 0.83 LMNA (0.42) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3974125 0.83 ALDH1A1 (0.46) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3979961 0.83 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11ACLY

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 MAPK14 2768/4885MAPK13 1918/4885MAPK12 2241/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP MAPK14 2768/4885MAPK13 1918/4885MAPK12 2241/4885

“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.