SCHEMBL827756

SCHEMBL827756

N#CCCn1nc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.49
▸ CLK2 P49760 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ DYRK1B Q9Y463 1/20 0.49
▸ MAPT P10636 5/20 0.43
▸ POLB P06746 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GSK3B P49841 2/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CYP2D6 P10635 4/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ KCNH2 Q12809 3/20 0.40
▸ GPR142 Q7Z601 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 3/20 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
SCHEMBL827730 0.88 CLK1 (0.51) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL827783 0.85 MAPT (0.49) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL10186218 0.84 MAPT (0.48) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL860843 0.83 TP53 (0.49) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL827934 0.82 MAPT (0.49) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL828927 0.82 MAPT (0.46) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL827752 0.82 IDH2 (0.44) MAPTLMNAKDM4EIDH2
SCHEMBL827497 0.81 MAPT (0.48) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL827940 0.80 MAPT (0.47) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL829950 0.80 MAPT (0.47) CLK1CLK2DYRK1ACLK4DYRK1B

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 CLK1 3641/4885CLK2 2723/4885DYRK1A 967/4885

“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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