SCHEMBL16740113

SCHEMBL16740113

O=C(c1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ BRAF P15056 2/20 0.36
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ CSNK1D P48730 4/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35

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
SCHEMBL16739550 0.87 IRAK4 (0.47) CDK2PKMCDK4CCNE1NTRK1
SCHEMBL16740355 0.86 PKM (0.51) CDK2PKMNTRK1IRAK4CSNK1D
SCHEMBL16739997 0.86 PKM (0.46) CDK2PKMBRAFIRAK4CSNK1D
SCHEMBL16739602 0.85 PKM (0.41) CDK2PKMCDK4CCNE1NTRK1
SCHEMBL16739723 0.85 CDK2 (0.44) CDK2PKMBRAFIRAK4CSNK1D
SCHEMBL16740196 0.83 PKM (0.49) PKMIRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL16740119 0.83 PTGS2 (0.46) CDK2PKMCDK4BRAFIRAK4
SCHEMBL16740329 0.82 PKM (0.39) CDK2PKMCDK4CCNE1NTRK1
SCHEMBL16739906 0.82 TUBB4A (0.49) PKMBRAFNPC1RAB9ASMN1; SMN2
SCHEMBL16740108 0.82 PKM (0.39) CDK2PKMCDK4CCNE1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CDK2 1415/4885PKM 4004/4885CDK4 1151/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B CDK2 1415/4885PKM 4004/4885CDK4 1151/4885

“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.

Send feedback