SCHEMBL16740371

SCHEMBL16740371

Nc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.38
▸ GALR2 O43603 5/20 0.38
▸ GALR1 P47211 3/20 0.38
▸ BMI1 P35226 2/20 0.38
▸ CYP11B1 P15538 5/20 0.34
▸ CYP11B2 P19099 5/20 0.34
▸ MAT2A P31153 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ MCHR1 Q99705 3/20 0.32
▸ AGPAT2 O15120 1/20 0.32

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
SCHEMBL16740101 0.89 ROCK2 (0.32) GALR2GALR1CYP11B1CYP11B2CYP19A1
SCHEMBL16740324 0.88 CYP11B2 (0.41) ROCK1GALR2GALR1BMI1CYP11B1
SCHEMBL16740081 0.88 MCHR1 (0.42) GALR2GALR1CYP11B1CYP11B2MCHR1
SCHEMBL16740253 0.86 BMI1 (0.42) ROCK1GALR2GALR1BMI1CYP11B1
SCHEMBL16740216 0.85 MCHR1 (0.41) BMI1CYP11B1CYP11B2MCHR1AGPAT2
SCHEMBL16740325 0.81 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1JAK2JAK1
SCHEMBL16740289 0.77 CYP11B2 (0.39) GALR2GALR1CYP11B1CYP11B2CYP19A1
SCHEMBL18094395 0.77 SCN9A (0.34) GALR2GALR1CYP11B1CYP11B2CYP19A1
SCHEMBL16540805 0.76 CYP11B1 (0.32) CYP11B1CYP11B2CYP19A1MCHR1AGPAT2
SCHEMBL16740061 0.76 CYP11B2 (0.38) CYP11B1CYP11B2CYP19A1MCHR1

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 ROCK1 2769/4885GALR2 4615/4885GALR1 4068/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B ROCK1 2769/4885GALR2 4615/4885GALR1 4068/4885

“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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