SCHEMBL3980704

SCHEMBL3980704

CCOC(=O)c1cccnc1Nc1cc(C(C)(C)C)nn1-c1cc(OC)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.43
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
HTT P42858 3/20 0.41
PTK2 Q05397 1/20 0.40
PTK2B Q14289 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ABL1 P00519 1/20 0.39
AXL P30530 1/20 0.39
NTRK1 P04629 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39

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
SCHEMBL3977174 0.87 NPSR1 (0.44) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3979966 0.83 L3MBTL1 (0.47) HTTNPSR1MEN1PKMMAPK1
SCHEMBL3974457 0.81 HTT (0.45) MAPK14MAPK13MAPK12MAPK11HTT
SCHEMBL13752292 0.80 DHODH (0.51) MAPK14MAPK13MAPK12MAPK11HTT
SCHEMBL3979286 0.79 LMNA (0.51) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL3974247 0.79 RAB9A (0.52) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3980491 0.78 RIPK1 (0.45) MAPK14MAPK13MAPK12MAPK11HTT
SCHEMBL3974469 0.77 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3982482 0.77 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL5008532 0.77 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11PTK2

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.