SCHEMBL16740101

SCHEMBL16740101

Nc1cc(Nc2ccc(OC(F)F)c(F)c2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.32
▸ CYP11B1 P15538 6/20 0.32
▸ CYP11B2 P19099 6/20 0.32
▸ CYP19A1 P11511 2/20 0.32
▸ AGPAT2 O15120 2/20 0.32
▸ MAP3K12 Q12852 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MCHR1 Q99705 5/20 0.31
▸ GALR1 P47211 2/20 0.31
▸ GALR2 O43603 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
SCHEMBL16740371 0.89 ROCK1 (0.38) CYP11B1CYP11B2CYP19A1AGPAT2MCHR1
SCHEMBL16740289 0.89 CYP11B2 (0.39) ROCK2CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL18094395 0.88 SCN9A (0.34) CYP11B1CYP11B2CYP19A1CYP3A4MCHR1
SCHEMBL16740061 0.87 CYP11B2 (0.38) CYP11B1CYP11B2CYP19A1CYP3A4MCHR1
SCHEMBL16540805 0.87 CYP11B1 (0.32) CYP11B1CYP11B2CYP19A1AGPAT2MAP3K12
SCHEMBL15747494 0.87 CYP11B1 (0.33) ROCK2CYP11B1CYP11B2CYP19A1AGPAT2
SCHEMBL16747893 0.86 AGPAT2 (0.36) ROCK2AGPAT2CYP3A4GALR1GALR2
SCHEMBL16740325 0.84 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1MCHR1
SCHEMBL16740216 0.81 MCHR1 (0.41) CYP11B1CYP11B2AGPAT2MCHR1
SCHEMBL16740081 0.80 MCHR1 (0.42) CYP11B1CYP11B2MCHR1GALR1GALR2

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 ROCK2 3732/4885CYP11B1 3753/4885CYP11B2 4388/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B ROCK2 3732/4885CYP11B1 3753/4885CYP11B2 4388/4885

“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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