SCHEMBL3974243

SCHEMBL3974243

Cn1nc(C(C)(C)C)cc1Nc1ncccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MAPT P10636 2/20 0.49
MAPK14 Q16539 5/20 0.47
PKM P14618 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
GMNN O75496 1/20 0.46
TTR P02766 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
UGT1A1 P22309 1/20 0.46

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
SCHEMBL13869002 0.84 LMNA (0.56) DHODHLMNAGAAMEN1KMT2A
SCHEMBL3973612 0.82 LMNA (0.50) DHODHLMNAGAAMEN1KMT2A
SCHEMBL3975262 0.81 MAPK14 (0.47) DHODHLMNAGAAMEN1KMT2A
SCHEMBL3974265 0.81 MAPK13 (0.56) DHODHLMNAGAAMEN1KMT2A
SCHEMBL5008530 0.81 MAPK14 (0.52) LMNAMAPTMAPK14KDM4EGRN
SCHEMBL3979286 0.80 LMNA (0.51) DHODHLMNAGAAMEN1KMT2A
SCHEMBL4251789 0.80 DHODH (0.48) DHODHLMNAGAAMEN1KMT2A
SCHEMBL3976410 0.79 LMNA (0.47) DHODHLMNAGAAMEN1KMT2A
SCHEMBL3976255 0.79 MAPK13 (0.45) DHODHLMNAGAAMEN1KMT2A
SCHEMBL3864506 0.78 MAPK14 (0.48) DHODHLMNAGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DHODH 3112/4885LMNA 3423/4885GAA 369/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP DHODH 3112/4885LMNA 3423/4885GAA 369/4885

“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.