SCHEMBL827758

SCHEMBL827758

COC(=O)c1ccc(-c2nc(Nc3ccc(F)c(F)c3)nn2C[C@H](C)O)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ JAK2 O60674 2/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ MET P08581 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ GSK3B P49841 2/20 0.33
▸ EED O75530 1/20 0.33
▸ RBBP4 Q09028 1/20 0.33
▸ SUZ12 Q15022 1/20 0.33
▸ EZH2 Q15910 1/20 0.33
▸ AEBP2 Q6ZN18 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HPGD P15428 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
SCHEMBL827805 0.91 NPC1 (0.40) NPC1RAB9ASMN1; SMN2JAK2MALT1
SCHEMBL827742 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MALT1KCNH2
SCHEMBL827973 0.85 KCNQ3 (0.39) NPC1RAB9ASMN1; SMN2JAK2TGFBR1
SCHEMBL827997 0.83 SYK (0.39) JAK2TGFBR1GSK3B
SCHEMBL3030717 0.72 KDM4E (0.36) NPC1RAB9ASMN1; SMN2JAK2ALDH1A1
SCHEMBL3657282 0.72 KDM4E (0.36) NPC1RAB9ASMN1; SMN2JAK2ALDH1A1
SCHEMBL3030724 0.72 KDM4E (0.36) NPC1RAB9ASMN1; SMN2JAK2ALDH1A1
SCHEMBL3657283 0.72 KDM4E (0.36) NPC1RAB9ASMN1; SMN2JAK2ALDH1A1
SCHEMBL827490 0.69 TGFBR1 (0.34) JAK2KCNH2TGFBR1GSK3BMAPK1
SCHEMBL3032363 0.68 KDM4E (0.34) NPC1RAB9ASMN1; SMN2JAK2ALDH1A1

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 2 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-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 NPC1 2263/4885RAB9A 1835/4885SMN1; SMN2 3305/4885

“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