SCHEMBL17618450

SCHEMBL17618450

O=C(Nc1ccccn1)N1c2nc(-c3cccc(OC(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ GSK3B P49841 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ ABL1 P00519 4/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ SLC6A7 Q99884 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ SLC5A1 P13866 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36

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
SCHEMBL17618471 0.91 MPL (0.45) PDE4APDE4BPDE4DGSK3BMAPK14
SCHEMBL17618470 0.91 ABL1 (0.42) PDE4APDE4BPDE4DGSK3BMAPK14
SCHEMBL19669044 0.91 GSK3B (0.42) PDE4APDE4BPDE4DGSK3BMAPK14
SCHEMBL17618508 0.90 NEK2 (0.44) PDE4APDE4BPDE4DGSK3BABL1
SCHEMBL17618440 0.89 ABL1 (0.40) PDE4APDE4BPDE4DGSK3BMAPK14
SCHEMBL16238412 0.88 PHGDH (0.41) TRPV1
SCHEMBL17618905 0.88 PHGDH (0.41) TRPV1
SCHEMBL17618476 0.87 ABL1 (0.39) PDE4APDE4BPDE4DGSK3BMAPK14
SCHEMBL17618388 0.87 VCP (0.43) PDE4APDE4BPDE4DPDE4CTRPV1
SCHEMBL17618478 0.86 IRAK4 (0.42) PDE4APDE4BPDE4DGSK3BMAPK14

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 PDE4A 2862/4885PDE4B 2704/4885PDE4D 2881/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PDE4A 2267/4885PDE4B 1927/4885PDE4D 2188/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PDE4A 2267/4885PDE4B 1927/4885PDE4D 2188/4885

“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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