SCHEMBL5012045

SCHEMBL5012045

COc1ccc(Nc2cc(CCC(F)(F)F)nn2-c2c(C)cccc2C)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.47
GFER P55789 2/20 0.46
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
DHODH Q02127 2/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41

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
SCHEMBL5007787 0.82 ADORA1 (0.52) ADORA1GFERMEN1LMNAKMT2A
SCHEMBL5005514 0.80 KCNJ6 (0.49) ADORA1GFERMEN1LMNAKMT2A
SCHEMBL3981585 0.79 DHODH (0.47) MEN1LMNAKMT2ADHODHMAPT
SCHEMBL3976113 0.77 NR3C1 (0.35) GFERMEN1KMT2AHPGDDHODH
SCHEMBL5008686 0.77 ADORA1 (0.49) ADORA1GFERMEN1LMNAKMT2A
SCHEMBL5008826 0.76 ADORA1 (0.60) ADORA1GFERMEN1LMNAKMT2A
SCHEMBL5010549 0.76 ADORA1 (0.60) ADORA1GFERMEN1LMNAKMT2A
SCHEMBL5012002 0.75 ADORA1 (0.59) ADORA1GFERMEN1LMNAKMT2A
SCHEMBL5008723 0.74 MAPK14 (0.46) ADORA1GFER
SCHEMBL5005507 0.74 ADORA1 (0.64) ADORA1GFERMEN1LMNAKMT2A

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-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-03-13 US claimed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 US claimed
EP-1567517-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Pharmaceuticals Corporation (US) 2005-08-31 EP claimed
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION 2004-08-12 US claimed
WO-2004050650-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-17 WO claimed
WO-2004050651-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-17 WO claimed

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-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 ADORA1 749/4885GFER 1604/4885MEN1 4148/4885
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 ADORA1 749/4885GFER 1604/4885MEN1 4148/4885

“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.