SCHEMBL17618592

SCHEMBL17618592

O=C(Nc1ccncc1F)N1c2nc(-c3cccc(CC(O)CO)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 7/20 0.34
▸ PIM3 Q86V86 6/20 0.34
▸ NPY2R P49146 2/20 0.32
▸ MTTP P55157 2/20 0.32
▸ ROCK2 O75116 8/20 0.32
▸ PIM1 P11309 4/20 0.32
▸ TRPV1 Q8NER1 3/20 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
SCHEMBL17618464 0.88 PRMT5 (0.38) ROCK2
SCHEMBL17618404 0.86 TRPV1 (0.42) PIM2PIM3PIM1TRPV1
SCHEMBL19670220 0.85 ROCK2 (0.34) ROCK2TRPV1
SCHEMBL19365347 0.85 BTK (0.36) PIM2PIM3ROCK2PIM1TRPV1
SCHEMBL17618360 0.85 GRM5 (0.37) PIM2PIM3PIM1TRPV1
SCHEMBL17618590 0.85 TRPV1 (0.36) TRPV1
SCHEMBL17618588 0.84 DRD2 (0.35) —
SCHEMBL17618459 0.84 PIM2 (0.38) PIM2PIM3PIM1TRPV1
SCHEMBL16238183 0.84 RPS6KB1 (0.39) —
SCHEMBL17618453 0.83 GPR6 (0.39) —

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 PIM2 3491/4885PIM3 3869/4885NPY2R 2272/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM2 3242/4885PIM3 3489/4885NPY2R 2186/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIM2 3242/4885PIM3 3489/4885NPY2R 2186/4885

“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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