SCHEMBL19706208

SCHEMBL19706208

C/N=C/c1cccc(-c2ccc3c(n2)N(C(=O)Nc2nc(C)c(C)s2)[C@H]2CCN3C2)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ RAB9A P51151 6/20 0.32
▸ NPC1 O15118 5/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ TP53 P04637 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MCOLN3 Q8TDD5 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ALDH1A1 P00352 2/20 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
SCHEMBL17618422 0.87 RAB9A (0.40) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL17618488 0.85 POLQ (0.38) JAK2JAK1RAB9ANPC1MEN1
SCHEMBL17618480 0.85 LRRK2 (0.38) JAK2JAK1HRH3ADORA2AADORA1
SCHEMBL17618379 0.85 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL17618497 0.85 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL19703416 0.84 CNR2 (0.35) MEN1KMT2AMAPTALDH1A1
SCHEMBL19365385 0.84 CNR2 (0.35) MEN1KMT2AMAPTALDH1A1
SCHEMBL16776285 0.83 NPC1 (0.36) JAK2JAK1RAB9ANPC1MEN1
SCHEMBL17618473 0.83 GLS (0.39) SMPD3
SCHEMBL17618696 0.83 PIK3CA (0.37) JAK2JAK1RAB9ANPC1SMN1; SMN2

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 JAK2 2392/4885JAK1 3366/4885RAB9A 1471/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 JAK2 2392/4885JAK1 3366/4885RAB9A 1471/4885

“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