SCHEMBL17618473

SCHEMBL17618473

Cc1nc(NC(=O)N2c3nc(-c4cccc(OC(F)(F)F)c4)ccc3N3CC[C@H]2C3)sc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 8/20 0.39
▸ SMPD3 Q9NY59 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ KIT P10721 2/20 0.37
▸ POLQ O75417 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ FYN P06241 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ TRPA1 O75762 1/20 0.36

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
SCHEMBL17618497 0.89 ALDH1A1 (0.39) —
SCHEMBL17618379 0.89 ALDH1A1 (0.39) —
SCHEMBL17618422 0.86 RAB9A (0.40) ABL1USP30
SCHEMBL17618488 0.85 POLQ (0.38) SMPD3POLQ
SCHEMBL17618366 0.84 IDH2 (0.38) —
SCHEMBL17618480 0.84 LRRK2 (0.38) SMPD3PDE4APDE4BPDE4DUSP30
SCHEMBL16775975 0.84 ALDH1A1 (0.40) —
SCHEMBL19699048 0.84 IRAK4 (0.37) GLSSMPD3IRAK4PDE4APDE4B
SCHEMBL19670238 0.83 TRPA1 (0.38) GLSIRAK4KITABL1FYN
SCHEMBL17618472 0.83 IRAK4 (0.42) IRAK4PDE4APDE4BPDE4DKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GLS 27/4885SMPD3 3282/4885IRAK4 3208/4885

“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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