SCHEMBL16740387

SCHEMBL16740387

N#Cc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.36
▸ GALR2 O43603 3/20 0.36
▸ CTSS P25774 2/20 0.36
▸ CTSK P43235 2/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ IDH1 O75874 4/20 0.36
▸ ABL1 P00519 6/20 0.36
▸ BCR P11274 6/20 0.36
▸ CYP11B2 P19099 1/20 0.35
▸ GALR1 P47211 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL16740156 0.89 GALR2 (0.36) TRPA1GALR2CYP11B2GALR1SCN5A
SCHEMBL16740403 0.89 MCHR1 (0.41) TRPA1GALR2IDH1ABL1BCR
SCHEMBL16740159 0.89 TRPA1 (0.39) TRPA1GALR2CTSSCTSKABL1
SCHEMBL16740137 0.86 THRB (0.39) GALR2CTSSCTSKCTSLCTSB
SCHEMBL16740106 0.86 MCHR1 (0.43) TRPA1GALR2CTSSCTSKCTSL
SCHEMBL16740250 0.83 SCN5A (0.47) ABL1BCRCYP11B2MCHR1KCNH2
SCHEMBL16740344 0.80 GALR2 (0.44) GALR2IDH1ABL1BCRGALR1
SCHEMBL16748013 0.79 SCN9A (0.40) TRPA1CYP11B2KCNH2SCN5ASCN9A
SCHEMBL16747906 0.79 MCHR1 (0.42) GALR2IDH1ABL1BCRGALR1
SCHEMBL16747939 0.79 ABL1 (0.39) GALR2CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US claimed
EP-3071553-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-09-28 — — EP claimed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 — — WO claimed
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2020-03-10 — — US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 — — 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 (2 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B TRPA1 4717/4885GALR2 4615/4885CTSS 4755/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B TRPA1 4717/4885GALR2 4615/4885CTSS 4755/4885

“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.

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