SCHEMBL17618452

SCHEMBL17618452

O=C(Nc1ccc(F)cn1)N1c2nc(-c3cccc(OC[C@@H](O)CO)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.35
▸ GAK O14976 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ EPHA5 P54756 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ ADRB3 P13945 5/20 0.35
▸ ADRB2 P07550 4/20 0.35
▸ ADRB1 P08588 4/20 0.35
▸ FGFR4 P22455 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ PIK3CG P48736 1/20 0.33
▸ NEK2 P51955 1/20 0.33
▸ PIK3CA P42336 3/20 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
SCHEMBL16238383 0.89 PRMT5 (0.41) ADRB3ADRB2ADRB1ROCK2PIK3CG
SCHEMBL16238381 0.89 PRMT5 (0.41) ADRB3ADRB2ADRB1ROCK2PIK3CG
SCHEMBL16238378 0.89 PRMT5 (0.41) ADRB3ADRB2ADRB1ROCK2PIK3CG
SCHEMBL17618590 0.89 TRPV1 (0.36) FGFR4SCDPIK3CGPIK3CAMTOR
SCHEMBL17618502 0.88 NEK2 (0.44) SCDNEK2PIK3CAMTORHPGDS
SCHEMBL19706216 0.88 NEK2 (0.44) SCDNEK2PIK3CAMTORHPGDS
SCHEMBL17618440 0.86 ABL1 (0.40) MAPK14SCD
SCHEMBL17618464 0.86 PRMT5 (0.38) ADRB3ADRB2ADRB1ROCK2PIK3CG
SCHEMBL17618391 0.86 SCD (0.41) SCDHPGDS
SCHEMBL19670234 0.85 FGFR4 (0.35) MAPK14GAKLCKCYP3A4PDGFRB

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 MAPK14 1516/4885GAK 1955/4885LCK 2933/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK14 2116/4885GAK 1884/4885LCK 2894/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAPK14 2116/4885GAK 1884/4885LCK 2894/4885

“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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