SCHEMBL827940

SCHEMBL827940

CN(C)C(=O)Cn1nc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CLK1 P49759 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47
▸ GSK3B P49841 2/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ IDH1 O75874 1/20 0.41
▸ ADCY8 P40145 1/20 0.41
▸ ADCY1 Q08828 1/20 0.41
▸ IDH2 P48735 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 2/20 0.40

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
SCHEMBL828927 0.92 MAPT (0.46) MAPTLMNATP53POLBCLK1
SCHEMBL827999 0.89 LMNA (0.47) MAPTLMNATP53POLBCLK1
SCHEMBL827497 0.89 MAPT (0.48) MAPTLMNATP53POLBCLK1
SCHEMBL827934 0.89 MAPT (0.49) MAPTLMNATP53POLBCLK1
SCHEMBL829950 0.88 MAPT (0.47) MAPTLMNATP53POLBCLK1
SCHEMBL827783 0.85 MAPT (0.49) MAPTLMNATP53POLBCLK1
SCHEMBL827730 0.84 CLK1 (0.51) MAPTLMNATP53POLBCLK1
SCHEMBL860843 0.84 TP53 (0.49) MAPTLMNATP53POLBCLK1
SCHEMBL10186218 0.84 MAPT (0.48) MAPTLMNATP53POLBCLK1
SCHEMBL827756 0.80 CLK1 (0.49) MAPTLMNATP53POLBCLK1

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-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 — — US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 — — US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — 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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 MAPT 1731/4885LMNA 4583/4885TP53 3743/4885

“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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