SCHEMBL16740318

SCHEMBL16740318

FC(F)Oc1ccc(Nc2cccc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.40
▸ GAA P10253 6/20 0.39
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TUBB4A P04350 2/20 0.38
▸ TUBB P07437 2/20 0.38
▸ TUBA3C P0DPH7 2/20 0.38
▸ TUBA1B P68363 2/20 0.38
▸ TUBA4A P68366 2/20 0.38
▸ TUBB4B P68371 2/20 0.38
▸ TUBB3 Q13509 2/20 0.38
▸ TUBB2A Q13885 2/20 0.38
▸ TUBB8 Q3ZCM7 2/20 0.38
▸ TUBA3E Q6PEY2 2/20 0.38
▸ TUBA1A Q71U36 2/20 0.38
▸ TUBA1C Q9BQE3 2/20 0.38
▸ TUBB6 Q9BUF5 2/20 0.38
▸ TUBB2B Q9BVA1 2/20 0.38

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
SCHEMBL16740127 0.90 GAA (0.39) ROCK1GAAMAPTALDH1A1KDM4E
SCHEMBL16740330 0.89 ABL1 (0.41) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL16740085 0.87 IRAK4 (0.43) ROCK1GAAMAPTALDH1A1KDM4E
SCHEMBL16740360 0.86 GAA (0.41) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL15742592 0.85 ROCK1 (0.47) ROCK1GAAMAPTALDH1A1KDM4E
SCHEMBL16739626 0.82 ROCK1 (0.43) ROCK1GAAMAPTALDH1A1KDM4E
SCHEMBL18094384 0.82 ROCK1 (0.39) ROCK1GAAMAPTALDH1A1LMNA
SCHEMBL16740351 0.81 GALR2 (0.40) ROCK1GAAMAPTALDH1A1KDM4E
SCHEMBL16740299 0.80 BMI1 (0.40) ROCK1GAAMAPTALDH1A1KDM4E
SCHEMBL16740292 0.78 KCNH2 (0.47) GAAMAPTALDH1A1KDM4ELMNA

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 2769/4885GAA 4374/4885MAPT 4561/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B ROCK1 2769/4885GAA 4374/4885MAPT 4561/4885

“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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