SCHEMBL17618605

SCHEMBL17618605

O=C(Nc1ccccn1)N1c2nc(-c3cncc(F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.38
▸ DYRK1A Q13627 3/20 0.38
▸ VCP P55072 1/20 0.37
▸ CHRM4 P08173 1/20 0.36
▸ ABL1 P00519 7/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ PORCN Q9H237 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.34

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
SCHEMBL17618686 0.95 GSK3B (0.37) GSK3BDYRK1AVCPABL1TRPV1
SCHEMBL16776286 0.95 GSK3B (0.39) GSK3BDYRK1AVCPCHRM4ABL1
SCHEMBL17618594 0.91 FAAH (0.43) GSK3BDYRK1AVCPCHRM4TRPV1
SCHEMBL17618624 0.91 GSK3B (0.39) GSK3BDYRK1AABL1CYP3A4CYP2D6
SCHEMBL17618539 0.90 CNR2 (0.39) GSK3BDYRK1AVCPABL1TRPV1
SCHEMBL17618562 0.90 PRMT5 (0.39) GSK3BDYRK1ATRPV1FAAHMAP3K5
SCHEMBL17618388 0.90 VCP (0.43) VCPCHRM4TRPV1JAK2NTRK1
SCHEMBL17618566 0.90 TRPV1 (0.40) DYRK1AABL1TRPV1TNF
SCHEMBL17618604 0.89 FAAH (0.37) GSK3BDYRK1ATRPV1FAAH
SCHEMBL17618596 0.88 DYRK1A (0.41) GSK3BDYRK1AABL1

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 9 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 2415/4885VCP 1889/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 1728/4885DYRK1A 2623/4885VCP 1270/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GSK3B 1728/4885DYRK1A 2623/4885VCP 1270/4885

“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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