SCHEMBL17618759

SCHEMBL17618759

O=C(Nc1cnccn1)N1c2nc(-c3cccc(N4CCOCC4)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.41
▸ PRKCQ Q04759 1/20 0.41
▸ KARS1 Q15046 1/20 0.41
▸ ATR Q13535 1/20 0.40
▸ CAMK2D Q13557 1/20 0.39
▸ BRAF P15056 1/20 0.38
▸ JAK2 O60674 4/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ TYK2 P29597 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CDC42BPB Q9Y5S2 1/20 0.37

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
SCHEMBL17618501 0.92 KARS1 (0.44) PRKCAPRKCQKARS1CAMK2DJAK2
SCHEMBL17618741 0.91 SCN9A (0.42) PRKCAPRKCQATRCAMK2DJAK2
SCHEMBL17618733 0.90 PRKCA (0.40) PRKCAPRKCQATRCAMK2DBRAF
SCHEMBL17618743 0.89 ATR (0.42) PRKCAPRKCQATRCAMK2DBRAF
SCHEMBL17618746 0.87 PRKCA (0.40) PRKCAPRKCQATRCAMK2DJAK2
SCHEMBL17618671 0.86 PIM3 (0.45) GSK3BDYRK1APIK3CAMTORPIK3CG
SCHEMBL16238803 0.85 KARS1 (0.41) PRKCAPRKCQKARS1PIM2
SCHEMBL17618546 0.85 KARS1 (0.41) PRKCAPRKCQKARS1PIM2
SCHEMBL16238804 0.85 KARS1 (0.41) PRKCAPRKCQKARS1PIM2
SCHEMBL17618361 0.85 ALOX15 (0.43) SCN9A

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 PRKCA 1835/4885PRKCQ 2178/4885KARS1 1429/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PRKCA 1268/4885PRKCQ 1416/4885KARS1 1760/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PRKCA 1268/4885PRKCQ 1416/4885KARS1 1760/4885

“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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