SCHEMBL16775767

SCHEMBL16775767

CCn1ncc2c(NC(=O)N3c4nc(-c5cccc(C)c5)ccc4N4CC[C@H]3C4)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.36
▸ PIK3CD O00329 2/20 0.34
▸ CHRM3 P20309 4/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34
▸ PIK3CA P42336 4/20 0.33
▸ MTOR P42345 3/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL16250012 0.90 TRPV1 (0.43) SYKPIK3CDTRPV1MEN1KMT2A
SCHEMBL19670115 0.82 TRPV1 (0.38) SYKTRPV1PIK3CAMTOR
SCHEMBL16775778 0.81 EGFR (0.35) CHRM3TRPV1GRIN2BEGFR
SCHEMBL19365347 0.79 BTK (0.36) TRPV1MEN1KMT2A
SCHEMBL19699039 0.78 HTR2C (0.46) —
SCHEMBL16775782 0.77 GRM5 (0.39) PIK3CARAB9AEGFR
SCHEMBL19669061 0.77 LIMK2 (0.36) MEN1KMT2A
SCHEMBL19699058 0.77 USP2 (0.35) CHRM3MEN1KMT2A
SCHEMBL19706185 0.76 NPC1 (0.42) PDE4BPDE4DNPC1RAB9A
SCHEMBL19670410 0.76 TRPV1 (0.43) SYKCHRM3TRPV1MTORMEN1

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (4 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 SYK 2764/4885PIK3CD 3933/4885CHRM3 4560/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SYK 2995/4885PIK3CD 3327/4885CHRM3 4183/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SYK 2764/4885PIK3CD 3933/4885CHRM3 4560/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SYK 2995/4885PIK3CD 3327/4885CHRM3 4183/4885

“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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