SCHEMBL16776286

SCHEMBL16776286

O=C(Nc1ccccn1)N1c2nc(-c3cncc(F)c3)ccc2N2CCC1CC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ VCP P55072 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ PORCN Q9H237 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ FAAH O00519 3/20 0.36
▸ TNF P01375 1/20 0.36
▸ MAP3K5 Q99683 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL17618605 0.95 GSK3B (0.38) GSK3BDYRK1ATRPV1VCPJAK2
SCHEMBL16776276 0.90 GSK3B (0.40) GSK3BDYRK1AABL1CYP3A4CYP2D6
SCHEMBL17618686 0.90 GSK3B (0.37) GSK3BDYRK1ATRPV1VCPJAK2
SCHEMBL16776272 0.90 PRMT5 (0.42) GSK3BDYRK1ATRPV1FAAHMAP3K5
SCHEMBL20632299 0.90 GSK3B (0.35) GSK3BDYRK1ATRPV1VCPJAK2
SCHEMBL16776288 0.90 CHRM4 (0.39) GSK3BDYRK1ACHRM4ABL1CYP3A4
SCHEMBL17618761 0.90 CNR2 (0.40) GSK3BDYRK1ATRPV1VCPJAK2
SCHEMBL19365582 0.86 GSK3B (0.39) GSK3BDYRK1ATRPV1VCPJAK2
SCHEMBL19670325 0.86 GSK3B (0.39) GSK3BDYRK1ATRPV1VCPJAK2
SCHEMBL17618594 0.86 FAAH (0.43) GSK3BDYRK1ATRPV1VCPJAK2

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-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
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
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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 2465/4885DYRK1A 2415/4885TRPV1 4249/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 1728/4885DYRK1A 2623/4885TRPV1 3670/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 1728/4885DYRK1A 2623/4885TRPV1 3670/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GSK3B 1728/4885DYRK1A 2623/4885TRPV1 3670/4885

“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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