SCHEMBL3979697

SCHEMBL3979697

COc1ccc(Nc2cc(-c3ccc(F)cc3)nn2-c2ccccc2C)c(C(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.50
MAPT P10636 2/20 0.40
GRM5 P41594 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
SAE1 Q9UBE0 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 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
SCHEMBL5008323 0.81 ADORA1 (0.54) ADORA1MAPTGRM5POLB
SCHEMBL5007784 0.80 ADORA1 (0.51) ADORA1MAPTGRM5ALDH1A1POLB
SCHEMBL5008407 0.79 MAPT (0.45) ADORA1MAPTGRM5ALDH1A1POLB
SCHEMBL5012064 0.78 ADORA1 (0.53) ADORA1MAPTADORA3POLBAPEX1
SCHEMBL5008839 0.77 ADORA1 (0.47) ADORA1MAPTGRM5ALDH1A1L3MBTL1
SCHEMBL5007722 0.77 ADORA1 (0.70) ADORA1ADORA3ALDH1A1POLBAPEX1
SCHEMBL5008457 0.77 ADORA1 (0.47) ADORA1MAPTGRM5ALDH1A1POLB
SCHEMBL3974168 0.76 ADORA1 (0.47) ADORA1MAPTGRM5ALDH1A1POLB
SCHEMBL5011987 0.76 ADORA1 (0.66) ADORA1MAPTADORA3POLBAPEX1
SCHEMBL5008505 0.76 GFER (0.62) ADORA1MAPTADORA3ALDH1A1POLB

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 ADORA1 1582/4885MAPT 3713/4885GRM5 1903/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP ADORA1 1582/4885MAPT 3713/4885GRM5 1903/4885

“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.