SCHEMBL5012103

SCHEMBL5012103

COC(=O)c1ccccc1Nc1cc(C2CCCC2)nn1-c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
KCNJ6 P48051 9/20 0.46
KCNJ3 P48549 9/20 0.46
KCNJ5 P48544 6/20 0.46
CRACR2A Q9BSW2 1/20 0.43
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL5005238 0.90 KCNJ6 (0.49) KCNJ6KCNJ3KCNJ5CRACR2ACYP1A2
SCHEMBL5011981 0.89 KCNJ6 (0.48) KCNJ6KCNJ3KCNJ5CRACR2ACYP1A2
SCHEMBL5008517 0.89 KCNJ6 (0.50) KCNJ6KCNJ3KCNJ5CRACR2AGFER
SCHEMBL1815233 0.83 HPGD (0.58) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL3860022 0.78 KCNJ6 (0.46) KCNJ6KCNJ3KCNJ5CRACR2AMAPT
SCHEMBL3975958 0.78 KCNJ6 (0.46) KCNJ6KCNJ3KCNJ5CRACR2AMAPT
SCHEMBL3979959 0.77 KCNJ6 (0.46) KCNJ6KCNJ3KCNJ5CRACR2AHTT
SCHEMBL3975494 0.76 KCNJ6 (0.46) KCNJ6KCNJ3KCNJ5CRACR2AHTT
SCHEMBL27637170 0.75 KCNJ6 (0.43) KCNJ6KCNJ3KCNJ5GFERMAPT
SCHEMBL27637083 0.74 KCNJ6 (0.42) KCNJ6KCNJ3KCNJ5GFERMAPT

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 ALDH1A1 1326/4885HPGD 1941/4885KCNJ6 1526/4885
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 ALDH1A1 1326/4885HPGD 1941/4885KCNJ6 1526/4885

“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.