SCHEMBL17618404

SCHEMBL17618404

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.42
▸ HPGDS O60760 1/20 0.37
▸ CALCRL Q16602 2/20 0.36
▸ PIM2 Q9P1W9 3/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ MAP4K4 O95819 3/20 0.36
▸ GPR6 P46095 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 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
SCHEMBL17618360 0.92 GRM5 (0.37) TRPV1PIM2PIM3GPR6JAK2
SCHEMBL17618394 0.92 TRPV1 (0.41) TRPV1HPGDSCALCRLPIM2PIM3
SCHEMBL19365347 0.92 BTK (0.36) TRPV1PIM2PIM3GPR6PIM1
SCHEMBL16238183 0.90 RPS6KB1 (0.39) ALDH1A1
SCHEMBL17618459 0.90 PIM2 (0.38) TRPV1PIM2PIM3JAK2PIM1
SCHEMBL17618453 0.90 GPR6 (0.39) GPR6JAK2JAK1ALDH1A1PDE4A
SCHEMBL17618462 0.88 ABL1 (0.41) PDE4APDE4BPDE4D
SCHEMBL19670154 0.88 PIM2 (0.34) TRPV1PIM2PIM3PIM1
SCHEMBL17618645 0.87 GRM5 (0.40) TRPV1PIM2PIM3PIM1
SCHEMBL17618592 0.86 PIM2 (0.34) TRPV1PIM2PIM3PIM1

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 TRPV1 4249/4885HPGDS 1307/4885CALCRL 4653/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885HPGDS 1358/4885CALCRL 4631/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TRPV1 3670/4885HPGDS 1358/4885CALCRL 4631/4885

“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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