SCHEMBL3973902

SCHEMBL3973902

COc1cccc(C)c1-n1nc(C(C)(C)C)cc1Nc1cnc(SC)nc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.38
MAPK13 O15264 5/20 0.38
MAPK12 P53778 5/20 0.38
MAPK11 Q15759 5/20 0.38
RAF1 P04049 3/20 0.38
BRAF P15056 6/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 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
SCHEMBL4401160 0.92 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL3975073 0.87 TP53 (0.43) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4411488 0.81 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL3870223 0.81 RAF1 (0.40) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5007746 0.80 GFER (0.51) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL3980057 0.78 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5008686 0.77 ADORA1 (0.49) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL3979442 0.77 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL3860009 0.76 MEN1 (0.48) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL3977205 0.75 BRAF (0.41) MAPK14MAPK13MAPK12MAPK11RAF1

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.