SCHEMBL2036484

SCHEMBL2036484

CC(O)c1ccnc(NN)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
UGT2B7 P16662 1/20 0.36
TYK2 P29597 2/20 0.35
NR3C2 P08235 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CDK8 P49336 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
FDPS P14324 2/20 0.33
BRD4 O60885 1/20 0.33
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
RIOK2 Q9BVS4 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
SCHEMBL29626722 0.77 NR3C2 (0.44) TYK2NR3C2MEN1KMT2APOLB
SCHEMBL21200001 0.77 NR3C2 (0.44) TYK2NR3C2MEN1KMT2APOLB
SCHEMBL514592 0.75 NOS3 (0.48) PLGPLAUUGT2B7MEN1KMT2A
SCHEMBL19846691 0.72 UHRF1 (0.48) PLGPLAUUGT2B7MEN1KMT2A
SCHEMBL17198732 0.72 UHRF1 (0.48) PLGPLAUUGT2B7MEN1KMT2A
SCHEMBL21079077 0.71 FDPS (0.37) NR3C2FDPS
SCHEMBL21200276 0.71 PLG (0.41) PLGPLAUUGT2B7MEN1KMT2A
SCHEMBL22945803 0.71 PLG (0.41) PLGPLAUUGT2B7MEN1KMT2A
SCHEMBL2040052 0.71 RECQL (0.44) PLGPLAUUGT2B7TYK2MEN1
SCHEMBL15277731 0.71 PLG (0.41) PLGPLAUUGT2B7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516397-B1 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME (NL) 2016-07-13 EP disclosed
EP-2516397-B1 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME (NL) 2016-07-13 EP disclosed
US-8952001-B2 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
US-8952001-B2 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
US-8952001-B2 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
CN-102884048-B Amino-heteroaryl derivatives as HCN blockers MSD OSS BV 2014-07-23 CN disclosed
CN-102884048-A Amino-heteroaryl derivatives as HCN blockers MSD OSS BV 2013-01-16 CN disclosed
EP-2516397-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS MSD Oss B.V. (NL) 2012-10-31 EP disclosed
US-20120264728-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-10-18 US disclosed
US-20120264728-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-10-18 US disclosed
US-20120264728-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-10-18 US disclosed
WO-2011076723-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS N.V. ORGANON (NL) 2011-06-30 WO 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 (1 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-20120264728-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS HCN1, HCN3, HCN2 PLG 4717/4885PLAU 4816/4885UGT2B7 1041/4885

“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.