SCHEMBL17618741

SCHEMBL17618741

O=C(Nc1ccccn1)N1c2nc(-c3cccc(N4CCOCC4)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ ATR Q13535 1/20 0.41
▸ AKT1 P31749 4/20 0.40
▸ VCP P55072 1/20 0.40
▸ SCN5A Q14524 1/20 0.39
▸ CAMK2D Q13557 1/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ SMPD3 Q9NY59 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ HDAC1 Q13547 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
SCHEMBL17618445 0.91 VCP (0.44) PRKCAPRKCQAKT1VCPCAMK2D
SCHEMBL17618733 0.91 PRKCA (0.40) SCN9APRKCAPRKCQATRAKT1
SCHEMBL17618759 0.91 PRKCA (0.41) SCN9APRKCAPRKCQATRCAMK2D
SCHEMBL17618746 0.90 PRKCA (0.40) SCN9APRKCAPRKCQATRAKT1
SCHEMBL19699057 0.86 BTK (0.39) PIK3CABTK
SCHEMBL17618614 0.86 CNR2 (0.49) BTK
SCHEMBL17618743 0.85 ATR (0.42) PRKCAPRKCQATRCAMK2DJAK2
SCHEMBL17618731 0.85 FAAH (0.39) PRKCAPRKCQATRAKT1CAMK2D
SCHEMBL17618553 0.85 VCP (0.43) SCN9APRKCAPRKCQVCPTP53BP1
SCHEMBL17618555 0.85 VCP (0.43) SCN9APRKCAPRKCQVCPTP53BP1

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 SCN9A 3407/4885PRKCA 1835/4885PRKCQ 2178/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SCN9A 3897/4885PRKCA 1268/4885PRKCQ 1416/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SCN9A 3897/4885PRKCA 1268/4885PRKCQ 1416/4885

“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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