SCHEMBL3860022

SCHEMBL3860022

Cc1ccccc1-n1nc(C2CCCC2)cc1Nc1ncccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 8/20 0.46
KCNJ3 P48549 8/20 0.46
KCNJ5 P48544 6/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
DHODH Q02127 4/20 0.44
CRACR2A Q9BSW2 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
CLCN2 P51788 1/20 0.41
ADORA1 P30542 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
SCHEMBL3975958 0.99 KCNJ6 (0.46) KCNJ6KCNJ3KCNJ5LMNAGAA
SCHEMBL3979959 0.86 KCNJ6 (0.46) KCNJ6KCNJ3KCNJ5LMNAMAPT
SCHEMBL5005238 0.86 KCNJ6 (0.49) KCNJ6KCNJ3KCNJ5LMNAMEN1
SCHEMBL27674201 0.86 DHODH (0.41) KCNJ6KCNJ3KCNJ5LMNAGAA
SCHEMBL4249083 0.86 KCNJ6 (0.47) KCNJ6KCNJ3KCNJ5LMNACRACR2A
SCHEMBL3975494 0.86 KCNJ6 (0.46) KCNJ6KCNJ3KCNJ5LMNAMAPT
SCHEMBL3974589 0.85 KCNJ6 (0.47) KCNJ6KCNJ3KCNJ5LMNACRACR2A
SCHEMBL28759608 0.85 DHODH (0.40) KCNJ6KCNJ3KCNJ5LMNAGAA
SCHEMBL5011981 0.85 KCNJ6 (0.48) KCNJ6KCNJ3KCNJ5LMNAMEN1
SCHEMBL3861500 0.83 DHODH (0.50) LMNAGAAMEN1NPC1MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720863-A4 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORP (US) 2009-04-22 EP claimed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US claimed
JP-2007525513-A 2007-09-06 JP claimed
EP-1720863-A2 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Pharmaceuticals Corporation (US) 2006-11-15 EP claimed
WO-2005086656-A2 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-22 WO claimed
US-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-01 US claimed
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 KCNJ6 1859/4885KCNJ3 1054/4885KCNJ5 1245/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP KCNJ6 1859/4885KCNJ3 1054/4885KCNJ5 1245/4885

“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.