SCHEMBL3974814

SCHEMBL3974814

CCOC(=O)c1ccc(C)nc1Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NTRK1 P04629 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
MAPK14 Q16539 2/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36

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
SCHEMBL3974011 0.83 MAPK14 (0.42) NTRK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3977174 0.81 NPSR1 (0.44) KMT2AMEN1SMN1; SMN2KDM4ENPSR1
SCHEMBL3976174 0.79 MAPK14 (0.44) NTRK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3976330 0.79 MAPK14 (0.46) NTRK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3982491 0.78 MAPK14 (0.43) KMT2AMEN1TDP1L3MBTL1SMN1; SMN2
SCHEMBL3975282 0.76 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4507485 0.75 MAPK14 (0.54) BRAFNTRK1CNR1CNR2MAPK14
SCHEMBL3977193 0.74 MAPK14 (0.43) NTRK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3975140 0.73 MAPK14 (0.41) BRAFNTRK1MAPK14MAPK13MAPK12
SCHEMBL3980689 0.72 HPGD (0.43) KMT2AMEN1TDP1L3MBTL1SMN1; SMN2

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 BRAF 2540/4885KMT2A 3923/4885MEN1 3766/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP BRAF 2540/4885KMT2A 3923/4885MEN1 3766/4885

“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.