SCHEMBL3976266

SCHEMBL3976266

COc1cccc(C)c1-n1nc(C(C)(C)C)cc1Nc1nc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.40
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK13 O15264 5/20 0.38
MAPK12 P53778 5/20 0.38
MAPK11 Q15759 5/20 0.38
MAPK14 Q16539 5/20 0.38
RAF1 P04049 3/20 0.38
BRAF P15056 6/20 0.37
TP53 P04637 2/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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
SCHEMBL3979442 0.90 MAPK14 (0.40) SMN1; SMN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL13759998 0.85 PTGS2 (0.38) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL3860009 0.85 MEN1 (0.48) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL3977205 0.82 BRAF (0.41) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5007746 0.82 GFER (0.51) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL3973035 0.81 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5008686 0.79 ADORA1 (0.49) SMN1; SMN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL3870223 0.78 RAF1 (0.40) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL3976113 0.78 NR3C1 (0.35) BRAF
SCHEMBL3972865 0.78 MAPK14 (0.42) SMN1; SMN2MAPK13MAPK12MAPK11MAPK14

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 6 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-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 SYK 4138/4885MAPT 3713/4885THRB 1092/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP SYK 4138/4885MAPT 3713/4885THRB 1092/4885

“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.