SCHEMBL5008499

SCHEMBL5008499

CCOc1ccccc1-n1nc(C(C)(C)C)cc1Nc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.52
NTRK2 Q16620 1/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
MAPK14 Q16539 9/20 0.45
MAPK13 O15264 7/20 0.45
MAPK12 P53778 7/20 0.45
MAPK11 Q15759 7/20 0.45
GFER P55789 1/20 0.45
MAPK8 P45983 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
WDR5 P61964 1/20 0.42
LMNA P02545 1/20 0.42
CREBBP Q92793 1/20 0.42
JAK2 O60674 1/20 0.41
TNF P01375 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
SCHEMBL5012082 0.89 ADORA1 (0.48) NTRK1NTRK2MEN1KMT2AMAPK14
SCHEMBL5007743 0.87 CLCN2 (0.51) MAPK14MAPK13MAPK12MAPK11GFER
SCHEMBL5010659 0.83 MAPK14 (0.64) NTRK1MEN1KMT2AMAPK14MAPK13
SCHEMBL27617934 0.82 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11GFER
SCHEMBL5005583 0.81 GFER (0.53) MAPK14MAPK13MAPK12MAPK11GFER
SCHEMBL5010672 0.81 MAPK14 (0.59) MEN1KMT2AMAPK14MAPK13MAPK12
SCHEMBL5007721 0.79 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11GFER
SCHEMBL5012181 0.79 ADORA1 (0.51) MEN1KMT2AMAPK14MAPK13MAPK12
SCHEMBL5008768 0.79 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11GFER
SCHEMBL28757654 0.78 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11GFER

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 5 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
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION 2004-08-12 US claimed
US-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-03-13 US disclosed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 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-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 NTRK1 4337/4885NTRK2 2371/4885MEN1 4148/4885
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 NTRK1 4337/4885NTRK2 2371/4885MEN1 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.