SCHEMBL4084990

SCHEMBL4084990

Cc1ccc(C)c(-n2nc(C(C)(C)C)cc2Nc2ncccc2S(N)(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.43
MAPK13 O15264 5/20 0.43
MAPK12 P53778 5/20 0.43
MAPK11 Q15759 5/20 0.43
LMNA P02545 3/20 0.42
AR P10275 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK9 P45984 3/20 0.38
DDR2 Q16832 2/20 0.38

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
SCHEMBL3974247 0.84 RAB9A (0.52) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3979286 0.82 LMNA (0.51) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3974469 0.80 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3976214 0.80 LMNA (0.41) LMNAARNPSR1NPC1HPGD
SCHEMBL3972985 0.79 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3971300 0.76 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5008405 0.75 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3978596 0.75 LMNA (0.49) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3975609 0.75 SMN1; SMN2 (0.48) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3980152 0.74 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11LMNA

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-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-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.