SCHEMBL16776487

SCHEMBL16776487

Cc1ccc(-c2cc(C)c3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN3C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ GRM5 P41594 10/20 0.41
▸ CHRM4 P08173 1/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ VCP P55072 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.35

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
SCHEMBL16754430 0.87 HTR2A (0.39) CHRM4
SCHEMBL17778463 0.86 FAAH (0.39) GSK3BDYRK1AGRM5CHRM4VCP
SCHEMBL17618510 0.86 PIK3CA (0.41) GSK3BDYRK1AGRM5ABL1VCP
SCHEMBL19689851 0.85 PHGDH (0.40) CHRM4SYKPOLB
SCHEMBL19706618 0.85 PHGDH (0.40) CHRM4SYKPOLB
SCHEMBL22239614 0.85 NPC1 (0.38) GRM5POLB
SCHEMBL17769928 0.85 NPC1 (0.38) GRM5POLB
SCHEMBL17778763 0.84 GSK3B (0.39) GSK3BDYRK1AGRM5CHRM4ABL1
SCHEMBL17767967 0.84 GSK3B (0.39) GSK3BDYRK1AGRM5CHRM4ABL1
SCHEMBL19736510 0.83 GRM5 (0.38) GRM5POLB

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 11 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 1728/4885DYRK1A 2623/4885GRM5 3471/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 2322/4885DYRK1A 3048/4885GRM5 3937/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 1728/4885DYRK1A 2623/4885GRM5 3471/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GSK3B 1728/4885DYRK1A 2623/4885GRM5 3471/4885

“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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