SCHEMBL827735

SCHEMBL827735

CNC(=O)Cn1nc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cnc2c(c1)OCC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.40
▸ STK17A Q9UEE5 2/20 0.37
▸ CHEK1 O14757 3/20 0.36
▸ FLT3 P36888 3/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ BRAF P15056 4/20 0.35
▸ STK17B O94768 1/20 0.35
▸ AKT1 P31749 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ RAF1 P04049 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
SCHEMBL827721 0.81 JAK2 (0.39) SYKSTK17AFLT3JAK2JAK3
SCHEMBL828073 0.74 SYK (0.40) SYKRAF1
SCHEMBL827964 0.71 STK17A (0.40) STK17AFLT3JAK2JAK3CYP3A4
SCHEMBL827750 0.70 ALDH1A1 (0.44) SYKSTK17ABRAFSTK17B
SCHEMBL827775 0.69 GRIN2B (0.42) FLT3BRAFRAF1
SCHEMBL827828 0.69 GRIN2B (0.43) STK17AFLT3BRAF
SCHEMBL827976 0.68 GRIN2B (0.41) STK17AFLT3BRAF
SCHEMBL827768 0.68 KIT (0.38) STK17AFLT3JAK2JAK3CYP3A4
SCHEMBL827749 0.67 CYP11B2 (0.40) STK17ACHEK1FLT3
SCHEMBL13675492 0.66 CHRNA7 (0.48) STK17AFLT3JAK2JAK3CYP3A4

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 SYK 3101/4885STK17A 1286/4885CHEK1 2759/4885

“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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