SCHEMBL2037543

SCHEMBL2037543

C[C@@H](Oc1ccc(C(F)(F)F)cc1Cl)c1ccnc(N)n1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.72
HRH4 Q9H3N8 3/20 0.46
MRGPRX4 Q96LA9 6/20 0.42
CDC7 O00311 1/20 0.39
CDK2 P24941 1/20 0.39
PDE2A O00408 1/20 0.38
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
HTR7 P34969 2/20 0.37
HTR6 P50406 2/20 0.37
JAK2 O60674 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL2037546 1.00 POLB (0.72) POLBHRH4MRGPRX4CDC7CDK2
SCHEMBL2037517 0.91 POLB (0.61) POLBHRH4CDC7CDK2HTR1A
SCHEMBL2037516 0.91 POLB (0.61) POLBHRH4CDC7CDK2HTR1A
SCHEMBL13278124 0.84 POLB (0.77) POLBHRH4HTR1ADRD2HTR2A
SCHEMBL13278125 0.84 POLB (0.77) POLBHRH4HTR1ADRD2HTR2A
SCHEMBL2033241 0.84 POLB (1.00) POLBDRD2HTR2AHTR7HTR6
SCHEMBL2035787 0.78 POLB (0.71) POLBCDC7HTR1ADRD2HTR2A
SCHEMBL2035785 0.78 POLB (0.71) POLBCDC7HTR1ADRD2HTR2A
SCHEMBL2032647 0.78 POLB (0.65) POLBHRH4
SCHEMBL13277833 0.78 POLB (0.70) POLBHRH4CDC7CDK2HTR1A

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 5 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
US-8952001-B2 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME CORP. (US) 2015-02-10 US 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
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 3931/4885HRH4 54/4885MRGPRX4 453/4885

“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.