SCHEMBL3976113

SCHEMBL3976113

COc1cccc(C)c1-n1nc(CCC(F)(F)F)cc1Nc1nc(C)ccc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.35
GFER P55789 1/20 0.34
DHODH Q02127 1/20 0.34
KMT2A Q03164 3/20 0.33
APLNR P35414 1/20 0.33
MEN1 O00255 2/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
BRAF P15056 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.32
SORT1 Q99523 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.31
ACLY P53396 1/20 0.31

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
SCHEMBL3979442 0.83 MAPK14 (0.40) GFERKMT2AMEN1BRAFPOLB
SCHEMBL3977204 0.82 KDM4C (0.35) KMT2AMEN1HTTACLY
SCHEMBL3977196 0.81 ADORA1 (0.40) NR3C1GFERDHODHPOLBACLY
SCHEMBL3981585 0.80 DHODH (0.47) DHODHKMT2AMEN1PKMMAPK1
SCHEMBL3976266 0.78 SYK (0.40) BRAF
SCHEMBL5012045 0.77 ADORA1 (0.47) GFERDHODHKMT2AMEN1HPGD
SCHEMBL3973827 0.75 DHODH (0.35) NR3C1DHODHKMT2AMEN1HSD17B10
SCHEMBL3975380 0.74 KMT2A (0.34) NR3C1KMT2AMEN1PKMMAPK1
SCHEMBL3973035 0.74 MAPK14 (0.44) SORT1GAAACLY
SCHEMBL3974139 0.74 KMT2A (0.35) NR3C1KMT2AMEN1PKMMAPK1

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 NR3C1 1063/4885GFER 2677/4885DHODH 3112/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP NR3C1 1063/4885GFER 2677/4885DHODH 3112/4885

“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.