SCHEMBL827973

SCHEMBL827973

C[C@H](O)Cn1nc(Nc2ccc(F)c(F)c2)nc1-c1ccc(Cl)nc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 6/20 0.39
▸ KCNQ2 O43526 6/20 0.39
▸ KCNE1 P15382 4/20 0.39
▸ KCNQ1 P51787 4/20 0.39
▸ TRPV3 Q8NET8 1/20 0.37
▸ TGFBR1 P36897 3/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ AXL P30530 2/20 0.35
▸ CTSC P53634 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ JAK2 O60674 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
SCHEMBL827742 0.87 NPC1 (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL827805 0.87 NPC1 (0.40) KCNQ3KCNQ2TGFBR1GSK3BNPC1
SCHEMBL827997 0.86 SYK (0.39) TRPV3TGFBR1GSK3BJAK2
SCHEMBL827758 0.85 NPC1 (0.39) TGFBR1GSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL827490 0.77 TGFBR1 (0.34) TGFBR1GSK3BJAK2
SCHEMBL3655458 0.77 KDM4E (0.34) GSK3BAXLNPC1RAB9ASMN1; SMN2
SCHEMBL3032363 0.77 KDM4E (0.34) GSK3BNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL3032356 0.77 KDM4E (0.34) GSK3BNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL3657282 0.74 KDM4E (0.36) GSK3BNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL3657283 0.74 KDM4E (0.36) GSK3BNPC1RAB9ASMN1; SMN2JAK2

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 6 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 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
WO-2007118903-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 — — WO 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 KCNQ3 549/4885KCNQ2 656/4885KCNE1 734/4885

“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.

Send feedback