SCHEMBL3032363

SCHEMBL3032363

CCC(O)Cn1nc(Nc2ccc(F)c(F)c2)nc1-c1cc(C)nc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GSK3B P49841 3/20 0.33
▸ KCNJ6 P48051 2/20 0.33
▸ KCNJ5 P48544 2/20 0.33
▸ KCNJ3 P48549 2/20 0.33
▸ KCNN3 Q9UGI6 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ APP P05067 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31

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
SCHEMBL3032356 1.00 KDM4E (0.34) KDM4EMAPTGSK3BKCNJ6KCNJ5
SCHEMBL3030724 0.93 KDM4E (0.36) KDM4EMAPTGSK3BKCNJ6KCNJ5
SCHEMBL3030717 0.93 KDM4E (0.36) KDM4EMAPTGSK3BKCNJ6KCNJ5
SCHEMBL3032743 0.92 PPARG (0.32) KDM4EMAPTGSK3BKCNJ6KCNJ5
SCHEMBL3655458 0.86 KDM4E (0.34) KDM4EMAPTGSK3BKCNJ6KCNJ5
SCHEMBL3030992 0.85 GRIN1 (0.31) KDM4EGRIN1GRIN2BALDH1A1
SCHEMBL3030990 0.85 GRIN1 (0.31) KDM4EGRIN1GRIN2BALDH1A1
SCHEMBL3021544 0.84 KDM4E (0.34) KDM4EMAPTGSK3BKCNJ6KCNJ5
SCHEMBL3034086 0.81 LMNA (0.33) KDM4EMAPTALDH1A1JAK2
SCHEMBL3034075 0.81 LMNA (0.33) KDM4EMAPTALDH1A1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212309-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2013-06-19 — — EP disclosed
US-8440701-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2013-05-14 — — US disclosed
US-8440701-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2013-05-14 — — US disclosed
US-8440701-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2013-05-14 — — US disclosed
US-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-08-26 — — US disclosed
US-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-08-26 — — US disclosed
US-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-08-26 — — US disclosed
WO-2009050186-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2009-04-23 — — 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-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNB1 KDM4E 2011/4885MAPT 2074/4885GSK3B 1077/4885

“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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