SCHEMBL17618464

SCHEMBL17618464

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 4/20 0.38
▸ WDR77 Q9BQA1 4/20 0.38
▸ DYRK1A Q13627 1/20 0.35
▸ ROCK2 O75116 12/20 0.34
▸ PRKG1 Q13976 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ LIMK2 P53671 1/20 0.34
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL17618592 0.88 PIM2 (0.34) ROCK2
SCHEMBL17618452 0.86 MAPK14 (0.35) PRMT5WDR77ROCK2ADRB2ADRB1
SCHEMBL17618462 0.86 ABL1 (0.41) DYRK1A
SCHEMBL19670379 0.86 PRMT5 (0.37) PRMT5WDR77DYRK1AROCK2PRKG1
SCHEMBL16238381 0.85 PRMT5 (0.41) PRMT5WDR77ROCK2ADRB2ADRB1
SCHEMBL16238383 0.85 PRMT5 (0.41) PRMT5WDR77ROCK2ADRB2ADRB1
SCHEMBL16238378 0.85 PRMT5 (0.41) PRMT5WDR77ROCK2ADRB2ADRB1
SCHEMBL17618404 0.85 TRPV1 (0.42) —
SCHEMBL19365347 0.83 BTK (0.36) ROCK2
SCHEMBL17618360 0.83 GRM5 (0.37) —

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 PRMT5 263/4885WDR77 1316/4885DYRK1A 2415/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PRMT5 209/4885WDR77 1434/4885DYRK1A 2623/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PRMT5 209/4885WDR77 1434/4885DYRK1A 2623/4885

“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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