SCHEMBL3027819

SCHEMBL3027819

CC[C@H](O)Cn1nc(Nc2cccc(Cl)c2F)nc1-c1cc(Cl)nc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 7/20 0.38
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ P2RX3 P56373 1/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ CFD P00746 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL3027829 1.00 RIPK1 (0.38) RIPK1LMNASMN1; SMN2P2RX3DRD2
SCHEMBL3032270 0.92 LMNA (0.39) RIPK1LMNASMN1; SMN2P2RX3DRD2
SCHEMBL3032265 0.92 LMNA (0.39) RIPK1LMNASMN1; SMN2P2RX3DRD2
Hydrochloric Acid SCHEMBL3021424 0.91 LMNA (0.38) RIPK1LMNASMN1; SMN2P2RX3KDM4E
SCHEMBL3025931 0.87 GRIN1 (0.32) LMNAKDM4E
SCHEMBL3025929 0.87 GRIN1 (0.32) LMNAKDM4E
SCHEMBL3030992 0.82 GRIN1 (0.31) LMNAKDM4E
SCHEMBL3030990 0.82 GRIN1 (0.31) LMNAKDM4E
SCHEMBL3027938 0.76 GRIN1 (0.33) LMNAKDM4EHPGDRAB9A
Hydrochloric Acid SCHEMBL3032341 0.76 GRIN1 (0.33) LMNAKDM4EHPGDRAB9A

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 5 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-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-08-26 — — US disclosed
EP-2212309-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES Janssen Pharmaceutica N.V. (BE) 2010-08-04 — — EP 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 RIPK1 3273/4885LMNA 4483/4885SMN1; SMN2 3055/4885

“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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