SCHEMBL16740106

SCHEMBL16740106

N#Cc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.43
▸ CYP11B2 P19099 2/20 0.41
▸ CTSS P25774 2/20 0.38
▸ CTSK P43235 2/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ IDH1 O75874 4/20 0.37
▸ GALR2 O43603 4/20 0.37
▸ GALR1 P47211 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ ABL1 P00519 2/20 0.35
▸ BCR P11274 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34

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
SCHEMBL16740111 0.89 CYP11B2 (0.40) MCHR1CYP11B2CTSSCTSKTRPA1
SCHEMBL16740324 0.88 CYP11B2 (0.41) MCHR1CYP11B2GALR2GALR1TRPA1
SCHEMBL16740081 0.88 MCHR1 (0.42) MCHR1CYP11B2IDH1GALR2GALR1
SCHEMBL16740403 0.86 MCHR1 (0.41) MCHR1IDH1GALR2GALR1ABL1
SCHEMBL16740387 0.86 TRPA1 (0.36) MCHR1CYP11B2CTSSCTSKCTSL
SCHEMBL16740104 0.85 CYP11B2 (0.39) MCHR1CYP11B2TRPA1CYP11B1
SCHEMBL16739966 0.82 CYP11B2 (0.39) MCHR1CYP11B2TRPA1CYP11B1
SCHEMBL16740289 0.81 CYP11B2 (0.39) MCHR1CYP11B2GALR2GALR1TRPA1
SCHEMBL16740344 0.77 GALR2 (0.44) MCHR1IDH1GALR2GALR1ABL1
SCHEMBL16747906 0.77 MCHR1 (0.42) MCHR1IDH1GALR2GALR1ABL1

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 MCHR1 3601/4885CYP11B2 4388/4885CTSS 4755/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B MCHR1 3601/4885CYP11B2 4388/4885CTSS 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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