SCHEMBL17618560

SCHEMBL17618560

O=C(Nc1cnccn1)N1c2nc(-c3ccnc(F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 4/20 0.40
▸ KARS1 Q15046 3/20 0.37
▸ PRKD1 Q15139 5/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ MINK1 Q8N4C8 1/20 0.36
▸ TNIK Q9UKE5 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ FAAH O00519 3/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ MAPT P10636 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
SCHEMBL16754300 0.91 PRKD1 (0.39) KARS1PRKD1FAAHGSK3B
SCHEMBL16754666 0.90 KARS1 (0.37) KARS1PRKD1KCNH2FAAHGSK3B
SCHEMBL16754278 0.90 WNT3A (0.40) WNT3AKARS1PRKD1
SCHEMBL17778385 0.90 WNT3A (0.40) WNT3AKARS1PRKD1
SCHEMBL16754636 0.90 KARS1 (0.38) KARS1PRKD1FAAHGSK3B
SCHEMBL16238798 0.90 WNT3A (0.40) WNT3AKARS1PRKD1
SCHEMBL17618621 0.90 FAAH (0.39) KARS1FAAHGSK3B
SCHEMBL16754332 0.89 WNT3A (0.38) WNT3AKARS1PRKD1FAAH
SCHEMBL16776516 0.89 KARS1 (0.37) KARS1PRKD1FAAHGSK3B
SCHEMBL19361182 0.89 FAAH (0.38) KARS1FAAHGSK3B

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 WNT3A 4128/4885KARS1 1429/4885PRKD1 2508/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 WNT3A 4291/4885KARS1 1760/4885PRKD1 2346/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 WNT3A 4291/4885KARS1 1760/4885PRKD1 2346/4885

“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.

Send feedback