SCHEMBL18103447

SCHEMBL18103447

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SYK P43405 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ METTL3 Q86U44 1/20 0.33

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
SCHEMBL16747874 0.92 NTRK1 (0.43) NTRK1PKMCYP1A2CYP2C9CYP2C19
SCHEMBL18100943 0.90 CDK2 (0.45) NTRK1PKMGSK3AGSK3BCSNK1D
SCHEMBL16739810 0.90 PKM (0.46) NTRK1PKMCYP1A2CYP2C9CYP2C19
SCHEMBL16739645 0.89 NTRK1 (0.47) NTRK1PKMCYP1A2CYP2C9CYP2C19
SCHEMBL16740334 0.83 PKM (0.47) NTRK1PKMCYP1A2CYP2C9CYP2C19
SCHEMBL18100942 0.83 CDK2 (0.44) NTRK1PKMGSK3AGSK3BCSNK1D
SCHEMBL16740264 0.81 ACP1 (0.47) NTRK1PKMMAPTACP1
SCHEMBL16739913 0.81 PKM (0.45) NTRK1PKMCYP1A2CYP2C9CYP2C19
SCHEMBL16740149 0.79 PKM (0.46) NTRK1PKMCSNK1DCSNK1ENPC1
SCHEMBL16740288 0.79 PKM (0.43) NTRK1PKMCYP1A2CYP2C9CYP2C19

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 1 patent. 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 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 (1 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

“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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