SCHEMBL828648

SCHEMBL828648

CCNc1cc(-c2nc(Nc3cc(F)c(F)c(F)c3)nn2CC(C)O)ccn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.36
▸ MAPK13 O15264 4/20 0.36
▸ MAPK12 P53778 4/20 0.36
▸ MAPK11 Q15759 4/20 0.36
▸ MAPT P10636 1/20 0.34
▸ MAPK10 P53779 2/20 0.33
▸ TGFBR1 P36897 4/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ PRKD2 Q9BZL6 1/20 0.33
▸ CSNK2A2 P19784 2/20 0.32
▸ CSNK2A1 P68400 2/20 0.32

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
SCHEMBL827829 1.00 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL827490 0.85 TGFBR1 (0.34) MAPK14TGFBR1
SCHEMBL3014891 0.77 CDK1 (0.47) MAPTCSNK2A1
SCHEMBL3031996 0.77 CDK1 (0.47) MAPTCSNK2A1
SCHEMBL3014887 0.77 CDK1 (0.47) MAPTCSNK2A1
SCHEMBL827781 0.74 ROCK2 (0.37) TGFBR1
SCHEMBL4505391 0.72 MAPK13 (0.34) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL827993 0.70 TGFBR1 (0.36) MAPK14TGFBR1
SCHEMBL827973 0.69 KCNQ3 (0.39) TGFBR1
SCHEMBL3014873 0.69 JAK2 (0.38) MAPK14MAPK13MAPK12MAPK11

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 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-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 MAPK14 3015/4885MAPK13 2885/4885MAPK12 2358/4885

“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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