SCHEMBL16739645

SCHEMBL16739645

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.47
▸ PKM P14618 1/20 0.44
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CFTR P13569 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ CSNK1D P48730 3/20 0.38
▸ CSNK1E P49674 3/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ TOP2A P11388 1/20 0.37
▸ P2RY14 Q15391 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL16739810 0.91 PKM (0.46) NTRK1PKMCYP1A2CYP2C9CYP2C19
SCHEMBL16747874 0.90 NTRK1 (0.43) NTRK1PKMCYP1A2CYP2C9CYP2C19
SCHEMBL18100944 0.90 CDK2 (0.46) NTRK1PKMCSNK1DMAPK8
SCHEMBL18103447 0.89 NTRK1 (0.42) NTRK1PKMCYP1A2CYP2C9CYP2C19
SCHEMBL16740334 0.84 PKM (0.47) NTRK1PKMCYP1A2CYP2C9CYP2C19
SCHEMBL16739913 0.83 PKM (0.45) NTRK1PKMCYP1A2CYP2C9CYP2C19
SCHEMBL16740264 0.82 ACP1 (0.47) NTRK1PKMRAB9A
SCHEMBL16740149 0.82 PKM (0.46) NTRK1PKMCSNK1DCSNK1ENPC1
SCHEMBL16740288 0.82 PKM (0.43) NTRK1PKMCYP1A2CYP2C9CYP2C19
SCHEMBL16740120 0.82 PKM (0.43) NTRK1PKMNPC1RAB9A

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-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
EP-3071553-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-09-28 — — EP disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 — — WO 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 4004/4885CYP1A2 3989/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B NTRK1 3907/4885PKM 4004/4885CYP1A2 3989/4885

“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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