SCHEMBL3974265

SCHEMBL3974265

CC(C)(C)c1cc(Nc2ncccc2C(=O)O)n(C2CCCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.56
MAPK12 P53778 2/20 0.56
MAPK11 Q15759 2/20 0.56
MAPK14 Q16539 2/20 0.56
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.44
DHODH Q02127 6/20 0.43
NTRK1 P04629 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PKM P14618 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL3974243 0.81 DHODH (0.50) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL3973612 0.76 LMNA (0.50) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL3975262 0.75 MAPK14 (0.47) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL4251789 0.74 DHODH (0.48) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL3979286 0.74 LMNA (0.51) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL3976255 0.73 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL3976410 0.73 LMNA (0.47) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL3978605 0.72 DHODH (0.46) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL3864506 0.72 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL4251779 0.71 LMNA (0.45) MAPK13MAPK12MAPK11MAPK14MEN1

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.