SCHEMBL19706037

SCHEMBL19706037

COc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)C2CCN3CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 1/20 0.45
▸ DYRK1A Q13627 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PIK3CA P42336 3/20 0.42
▸ MTOR P42345 3/20 0.42
▸ TP53 P04637 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ DGAT2 Q96PD7 1/20 0.40

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
SCHEMBL17618508 0.95 NEK2 (0.44) NEK2DYRK1APDE4APDE4BPDE4C
SCHEMBL16776256 0.89 GRM5 (0.40) DYRK1APIK3CAGSK3BUSP2RAB9A
SCHEMBL17618737 0.87 CNR2 (0.52) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL17618596 0.85 DYRK1A (0.41) NEK2DYRK1APIK3CAMTORTP53
SCHEMBL16775953 0.85 TRPV1 (0.44) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL17618450 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DGSK3B
SCHEMBL16775782 0.84 GRM5 (0.39) DYRK1APIK3CAGSK3BUSP2RAB9A
SCHEMBL17618502 0.83 NEK2 (0.44) NEK2DYRK1APIK3CAMTORTP53
SCHEMBL19706216 0.83 NEK2 (0.44) NEK2DYRK1APIK3CAMTORTP53
SCHEMBL16238109 0.83 CNR2 (0.39) DYRK1APIK3CAMEN1KMT2AGSK3A

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 NEK2 2615/4885DYRK1A 2623/4885PDE4A 2267/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NEK2 2615/4885DYRK1A 2623/4885PDE4A 2267/4885

“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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