SCHEMBL5008554

SCHEMBL5008554

Cc1ccccc1-n1nc(C(C)(C)C)c(Br)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
MAPK14 Q16539 3/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
ATM Q13315 1/20 0.36
RIPK2 O43353 3/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.34
ALPL P05186 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
OPRM1 P35372 1/20 0.32

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
SCHEMBL5008401 0.84 HTT (0.50) HTTKMT2AALDH1A1MAPTMAPK14
SCHEMBL1819331 0.81 HTT (0.60) HTTKMT2AALDH1A1MAPTMAPK14
SCHEMBL3864013 0.75 C5AR1 (0.40) ALDH1A1MAPTRIPK2
SCHEMBL23398744 0.72 MAPK14 (0.41) HTTKMT2AALDH1A1MAPTMAPK14
SCHEMBL23402846 0.72 MAPK14 (0.41) HTTKMT2AALDH1A1MAPTMAPK14
SCHEMBL5007710 0.71 BRAF (0.46) HTTKMT2AALDH1A1MAPTMAPK14
SCHEMBL23402859 0.71 MAPK14 (0.40) HTTKMT2AALDH1A1MAPTMAPK14
SCHEMBL23401990 0.71 MAPK14 (0.40) HTTKMT2AALDH1A1MAPTMAPK14
SCHEMBL1013289 0.69 ALDH1A1 (0.56) HTTKMT2AALDH1A1MAPTMAPK14
SCHEMBL1815226 0.68 MAPK14 (0.55) HTTKMT2AALDH1A1MAPTMAPK14

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 10 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 disclosed
US-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-03-13 US disclosed
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
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 US disclosed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 US disclosed
EP-1567517-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Pharmaceuticals Corporation (US) 2005-08-31 EP disclosed
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION 2004-08-12 US disclosed
WO-2004050651-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-17 WO disclosed
WO-2004050651-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-17 WO 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 HTT 1948/4885KMT2A 4310/4885ALDH1A1 1326/4885
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 HTT 1948/4885KMT2A 4310/4885ALDH1A1 1326/4885

“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.