SCHEMBL17618462

SCHEMBL17618462

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.41
▸ DHODH Q02127 2/20 0.41
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ NOTUM Q6P988 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
SCHEMBL16238183 0.89 RPS6KB1 (0.39) —
SCHEMBL17618404 0.88 TRPV1 (0.42) PDE4APDE4BPDE4D
SCHEMBL17618467 0.88 ABL1 (0.47) ABL1PDE4APDE4BPDE4DHTR2C
SCHEMBL17618470 0.87 ABL1 (0.42) ABL1PDE4APDE4BPDE4DDYRK1A
SCHEMBL19365347 0.87 BTK (0.36) —
SCHEMBL17618360 0.87 GRM5 (0.37) IRAK4
SCHEMBL17618464 0.86 PRMT5 (0.38) DYRK1A
SCHEMBL17618474 0.86 ABL1 (0.42) ABL1PDE4APDE4BPDE4DHTR2C
SCHEMBL17618471 0.86 MPL (0.45) ABL1PDE4APDE4BPDE4DIRAK4
SCHEMBL17618459 0.85 PIM2 (0.38) ABL1

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 ABL1 3987/4885DHODH 878/4885PDE4A 2862/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885DHODH 975/4885PDE4A 2267/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ABL1 4089/4885DHODH 975/4885PDE4A 2267/4885

“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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