SCHEMBL21778738

SCHEMBL21778738

Fc1cc(C(F)(F)F)ccc1-c1cnc(OCc2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 17/20 0.50
ALOX5AP P20292 15/20 0.50
MRGPRX4 Q96LA9 1/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43

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
SCHEMBL18784923 0.83 ALOX5AP (0.44) FEN1ALOX5APMRGPRX4RXRARXRB
SCHEMBL21778753 0.81 MRGPRX4 (0.42) FEN1ALOX5APMRGPRX4RXRARXRB
SCHEMBL14729682 0.77 RXRA (0.47) FEN1ALOX5APMRGPRX4RXRARXRB
SCHEMBL8429140 0.74 MRGPRX4 (0.67) MRGPRX4RXRA
SCHEMBL25261119 0.71 FEN1 (0.58) FEN1ALOX5AP
SCHEMBL4284174 0.71 MRGPRX4 (0.52) MRGPRX4RXRARXRBRXRG
SCHEMBL1333232 0.70 HTR2C (0.58) MRGPRX4RXRARXRBRXRG
SCHEMBL8619233 0.70 MAOB (0.44) FEN1ALOX5AP
SCHEMBL8614719 0.70 FEN1 (0.49) FEN1ALOX5AP
SCHEMBL30956744 0.69 GABRG2 (0.45)

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-20210230137-A1 PYRAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-07-29 US disclosed
US-11001567-B2 Pyrazine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-05-11 US disclosed
US-20200109128-A1 PYRAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-04-09 US disclosed
US-10577343-B2 Pyrazine compound and arthropod pest control agent containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-03-03 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 (4 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-20210230137-A1 PYRAZINE COMPOUND PPOX, NOX5, NISCH FEN1 4522/4885ALOX5AP 381/4885MRGPRX4 1428/4885
US-10577343-B2 Pyrazine compound and arthropod pest control agent containing same PPOX, NOX5, NISCH FEN1 4678/4885ALOX5AP 213/4885MRGPRX4 1440/4885
US-11001567-B2 Pyrazine compound PPOX, NOX5, NISCH FEN1 4522/4885ALOX5AP 381/4885MRGPRX4 1428/4885
US-20200109128-A1 PYRAZINE COMPOUND PPOX, NOX5, NISCH FEN1 4522/4885ALOX5AP 381/4885MRGPRX4 1428/4885

“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.