SCHEMBL2034041

SCHEMBL2034041

Nc1nccc(C(Oc2ncccc2C(F)(F)F)C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CDC7 O00311 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
SSTR4 P31391 1/20 0.32

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
SCHEMBL2033317 0.85 POLB (0.56) POLBSCN9AALDH1A1MAPTATM
SCHEMBL2033316 0.85 POLB (0.56) POLBSCN9AALDH1A1MAPTATM
SCHEMBL2036702 0.81 POLB (0.40) POLBSCN9AALDH1A1MAPTATM
SCHEMBL2032520 0.81 POLB (0.40) POLBSCN9AALDH1A1MAPTATM
SCHEMBL2032517 0.81 POLB (0.40) POLBSCN9AALDH1A1MAPTATM
SCHEMBL2033835 0.70 POLB (0.60) POLBCDC7CCNE1CDK2DBF4
SCHEMBL13277595 0.70 POLB (0.60) POLBCDC7CCNE1CDK2DBF4
SCHEMBL2033836 0.70 POLB (0.60) POLBCDC7CCNE1CDK2DBF4
SCHEMBL2033840 0.70 POLB (0.41) POLBALDH1A1CDC7CCNE1CDK2
SCHEMBL30503590 0.70 ALDH1A1 (0.43) ALDH1A1MAPTATMALOX5APFEN1

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 3931/4885SCN9A 32/4885ALDH1A1 1694/4885

“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.