SCHEMBL2033996

SCHEMBL2033996

CC(N)c1ccnc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
HRH3 Q9Y5N1 4/20 0.40
HRH4 Q9H3N8 5/20 0.39
HSP90AA1 P07900 2/20 0.39
AURKA O14965 1/20 0.39
PRKACA P17612 1/20 0.39
ADORA2A P29274 1/20 0.39
ROCK1 Q13464 2/20 0.39
NUDT1 P36639 2/20 0.39
CDK4 P11802 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
TLR8 Q9NR97 1/20 0.37
GRM4 Q14833 1/20 0.36
BCL6 P41182 1/20 0.36

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
SCHEMBL29718738 0.84 POLB (0.56) POLBHRH3HRH4HSP90AA1AURKA
SCHEMBL83993 0.84 POLB (0.56) POLBHRH3HRH4HSP90AA1AURKA
SCHEMBL2033811 0.81 POLB (0.53) POLBHRH3HRH4HSP90AA1AURKA
SCHEMBL2032932 0.81 POLB (0.53) POLBHRH3HRH4HSP90AA1AURKA
SCHEMBL2039822 0.81 POLB (0.53) POLBHRH3HRH4HSP90AA1AURKA
SCHEMBL21556891 0.79 POLB (0.51) POLBHRH3HRH4HSP90AA1AURKA
SCHEMBL28402863 0.78 GRM4 (0.35) POLBGRM4
SCHEMBL2031722 0.78 POLB (0.50) POLBHRH3HRH4HSP90AA1AURKA
SCHEMBL12277549 0.78 POLB (0.63) POLBHRH3HRH4HSP90AA1AURKA
SCHEMBL28404695 0.77 MAPK9 (0.37) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 CN disclosed
CN-111108092-A Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-05-05 CN disclosed
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 POLB 3931/4885HRH3 113/4885HRH4 54/4885

“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.