SCHEMBL16747874

SCHEMBL16747874

COC(=O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.43
▸ PKM P14618 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PRKD3 O94806 2/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ MAPK9 P45984 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ TAOK1 Q7L7X3 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ MET P08581 1/20 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
SCHEMBL18103447 0.92 NTRK1 (0.42) NTRK1PKMCYP1A2CYP2C9CYP2C19
SCHEMBL18100942 0.91 CDK2 (0.44) NTRK1PKMKDM4EALDH1A1PRKD3
SCHEMBL16739645 0.90 NTRK1 (0.47) NTRK1PKMCYP1A2CYP2C9CYP2C19
SCHEMBL16739810 0.89 PKM (0.46) NTRK1PKMKDM4EALDH1A1CYP1A2
SCHEMBL16740264 0.86 ACP1 (0.47) NTRK1PKMKDM4EALDH1A1ACP1
SCHEMBL18100943 0.84 CDK2 (0.45) NTRK1PKMKDM4EALDH1A1PRKD3
SCHEMBL16740334 0.82 PKM (0.47) NTRK1PKMKDM4EALDH1A1CYP1A2
SCHEMBL16747873 0.82 KDM4E (0.45) NTRK1PKMKDM4EALDH1A1CYP1A2
SCHEMBL18100944 0.81 CDK2 (0.46) NTRK1PKMKDM4EALDH1A1PRKD3
SCHEMBL16747823 0.81 PKM (0.45) NTRK1PKMKDM4EALDH1A1PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NTRK1 3907/4885PKM 4004/4885KDM4E 102/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B NTRK1 3907/4885PKM 4004/4885KDM4E 102/4885

“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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