SCHEMBL3974174

SCHEMBL3974174

CCC(C)(C)c1cc(Nc2ncccc2C(=O)O)n(-c2cccc(OC)c2C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
DHODH Q02127 10/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL3974138 0.92 MEN1 (0.48) HTTMEN1KMT2APKMMAPK1
SCHEMBL3975446 0.88 LMNA (0.41) HTTMEN1KMT2APKMMAPK1
SCHEMBL3974075 0.88 MAPK13 (0.41) MEN1KMT2AALDH1A1MAPK13MAPK12
SCHEMBL3972382 0.88 MEN1 (0.46) HTTMEN1KMT2APKMMAPK1
SCHEMBL3974739 0.86 MAPK14 (0.48) HTTMEN1KMT2ADHODHNPC1
SCHEMBL3973026 0.85 DHODH (0.44) HTTMEN1KMT2APKMMAPK1
SCHEMBL3982024 0.85 MAPK13 (0.48) HTTMEN1KMT2APKMMAPK1
SCHEMBL3974760 0.83 LMNA (0.47) HTTMEN1KMT2APKMMAPK1
SCHEMBL3860938 0.82 LMNA (0.44) HTTMEN1KMT2APKMMAPK1
SCHEMBL3972193 0.82 DHODH (0.48) HTTMEN1KMT2APKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US 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 HTT 2240/4885MEN1 3766/4885KMT2A 3923/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP HTT 2240/4885MEN1 3766/4885KMT2A 3923/4885

“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.