SCHEMBL3973827

SCHEMBL3973827

COc1cccc(C)c1-n1nc(C(C)(C)C)c(F)c1Nc1nc(C)ccc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.35
NR3C1 P04150 1/20 0.35
ADORA1 P30542 5/20 0.34
ADORA2A P29274 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
C5AR1 P21730 3/20 0.32
P2RX7 Q99572 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA2B P29275 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
SCHEMBL3975380 0.91 KMT2A (0.34) NR3C1ADORA1KMT2AMEN1POLB
SCHEMBL3974139 0.90 KMT2A (0.35) NR3C1ADORA1KMT2AMEN1POLB
SCHEMBL3979442 0.80 MAPK14 (0.40) KMT2AMEN1POLB
SCHEMBL3977196 0.76 ADORA1 (0.40) DHODHNR3C1ADORA1ADORA2APOLB
SCHEMBL3976113 0.75 NR3C1 (0.35) DHODHNR3C1KMT2AMEN1POLB
SCHEMBL3976266 0.73 SYK (0.40)
SCHEMBL3973035 0.70 MAPK14 (0.44)
SCHEMBL3972865 0.69 MAPK14 (0.42)
SCHEMBL3973821 0.69 ADORA1 (0.40) DHODHADORA1KMT2AMEN1ADORA2B
SCHEMBL3974518 0.67 GRM5 (0.40) ADORA1KMT2AMEN1POLBHSD17B10

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 3112/4885NR3C1 1063/4885ADORA1 1582/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP DHODH 3112/4885NR3C1 1063/4885ADORA1 1582/4885

“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.