SCHEMBL829950

SCHEMBL829950

CC(C)NC(=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
▸ POLB P06746 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CLK1 P49759 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ RECQL P46063 1/20 0.45
▸ GSK3B P49841 2/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ IDH1 O75874 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ADCY8 P40145 1/20 0.41

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
SCHEMBL827497 0.92 MAPT (0.48) MAPTLMNAPOLBTP53CLK1
SCHEMBL827934 0.88 MAPT (0.49) MAPTLMNAPOLBTP53CLK1
SCHEMBL827940 0.88 MAPT (0.47) MAPTLMNAPOLBTP53CLK1
SCHEMBL827999 0.87 LMNA (0.47) MAPTLMNAPOLBTP53CLK1
SCHEMBL860843 0.85 TP53 (0.49) MAPTLMNAPOLBTP53CLK1
SCHEMBL827783 0.84 MAPT (0.49) MAPTLMNAPOLBTP53CLK1
SCHEMBL827730 0.84 CLK1 (0.51) MAPTLMNAPOLBTP53CLK1
SCHEMBL10186218 0.83 MAPT (0.48) MAPTLMNAPOLBTP53CLK1
SCHEMBL828927 0.83 MAPT (0.46) MAPTLMNAPOLBTP53CLK1
SCHEMBL827756 0.80 CLK1 (0.49) MAPTLMNAPOLBTP53CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010516-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2014-07-02 — — EP claimed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 — — US claimed
CN-101472911-A Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA NV (BE) 2009-07-01 — — CN claimed
EP-2010516-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2014-07-02 — — EP disclosed
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
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 4583/4885POLB 4104/4885

“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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