SCHEMBL2836367

SCHEMBL2836367

Fc1cc(F)c(-c2c(Cl)nc(-c3cccnn3)nc2Cl)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.39
CYP11B2 P19099 1/20 0.34
GRM5 P41594 1/20 0.33
NPY5R Q15761 1/20 0.32
FFAR1 O14842 3/20 0.32
METAP1 P53582 1/20 0.31
CASP6 P55212 1/20 0.31
P2RX7 Q99572 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL2835717 0.83 TRPM8 (0.34) ACLY
SCHEMBL2836445 0.82 ACLY (0.39) ACLYCYP11B2NPY5RFFAR1CASP6
SCHEMBL4022147 0.81 METAP1 (0.51) GRM5FFAR1METAP1
SCHEMBL564294 0.79 GABRA1 (0.39) ACLYCYP11B2GRM5NPY5RCASP6
SCHEMBL4019514 0.72 NPC1 (0.44) ACLYCYP11B2GRM5NPY5RP2RX7
SCHEMBL4018444 0.69 ALDH1A1 (0.32)
SCHEMBL23499270 0.68 CASP6 (0.40) ACLYCYP11B2NPY5RCASP6GABRA1
SCHEMBL4162294 0.68
SCHEMBL4162350 0.68
SCHEMBL4021311 0.67 TRPM8 (0.47) FFAR1METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709637-B2 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi BASF SE (DE) 2010-05-04 US disclosed
US-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi METAVANTE CORPORATION 2007-04-19 US disclosed
US-7153860-B2 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2006-12-26 US disclosed
US-20040116429-A1 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF SE (DE) 2004-06-17 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 (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-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi DPYD, CBR3, RNGTT ACLY 2487/4885CYP11B2 1535/4885GRM5 816/4885

“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.