SCHEMBL16747927

SCHEMBL16747927

COc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(=O)O)nc3ccccn23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.45
▸ NTRK1 P04629 1/20 0.42
▸ PKM P14618 1/20 0.40
▸ GALR2 O43603 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ TUBB4A P04350 4/20 0.38
▸ TUBB P07437 4/20 0.38
▸ TUBA3C P0DPH7 4/20 0.38
▸ TUBA1B P68363 4/20 0.38
▸ TUBA4A P68366 4/20 0.38
▸ TUBB4B P68371 4/20 0.38
▸ TUBB3 Q13509 4/20 0.38
▸ TUBB2A Q13885 4/20 0.38
▸ TUBB8 Q3ZCM7 4/20 0.38
▸ TUBA3E Q6PEY2 4/20 0.38
▸ TUBA1A Q71U36 4/20 0.38
▸ TUBA1C Q9BQE3 4/20 0.38
▸ TUBB6 Q9BUF5 4/20 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
SCHEMBL16740264 0.87 ACP1 (0.47) ACP1NTRK1PKMGALR2KDM4E
SCHEMBL18100912 0.87 MAPT (0.42) ACP1GALR2KDM4EALDH1A1MAPT
SCHEMBL16739645 0.80 NTRK1 (0.47) NTRK1PKMRAB9AAKR1C3AKR1C2
SCHEMBL16739976 0.79 PKM (0.60) ACP1PKMGALR2TUBB4ATUBB
SCHEMBL16747874 0.79 NTRK1 (0.43) ACP1NTRK1PKMKDM4EALDH1A1
SCHEMBL18100944 0.79 CDK2 (0.46) NTRK1PKMKDM4EALDH1A1MAPT
SCHEMBL18100942 0.78 CDK2 (0.44) NTRK1PKMKDM4EALDH1A1MAPT
SCHEMBL16740301 0.76 TUBB4A (0.44) ACP1GALR2KDM4EMAPTTUBB4A
SCHEMBL16739810 0.75 PKM (0.46) NTRK1PKMKDM4EALDH1A1MAPT
SCHEMBL18103447 0.75 NTRK1 (0.42) ACP1NTRK1PKMMAPT

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 6 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
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 ACP1 872/4885NTRK1 3907/4885PKM 4004/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B ACP1 872/4885NTRK1 3907/4885PKM 4004/4885

“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