SCHEMBL19670395

SCHEMBL19670395

Nc1ccc(-c2cccc(N3CCOCC3)c2)nc1N(C(=O)Nc1cnccn1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.45
▸ PRKCA P17252 1/20 0.43
▸ PRKCQ Q04759 1/20 0.43
▸ KARS1 Q15046 1/20 0.41
▸ CASR P41180 1/20 0.41
▸ JAK2 O60674 3/20 0.40
▸ SYK P43405 3/20 0.39
▸ CAMK2D Q13557 1/20 0.39
▸ BRAF P15056 1/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ AKT1 P31749 2/20 0.38
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ DHFR P00374 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ PLOD2 O00469 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
SCHEMBL19670525 0.92 ATR (0.45) ATRPRKCAPRKCQCASRJAK2
SCHEMBL19670413 0.90 ATR (0.43) ATRPRKCAPRKCQJAK2SYK
SCHEMBL19670643 0.89 ATR (0.47) ATRPRKCAPRKCQCASRJAK2
SCHEMBL19670541 0.87 ATR (0.42) ATRPRKCAPRKCQCASRJAK2
SCHEMBL19670400 0.84 ATR (0.45) ATRPRKCAPRKCQJAK2SYK
SCHEMBL19670248 0.84 ATR (0.41) ATRPRKCAPRKCQJAK2SYK
SCHEMBL19364864 0.84 HDAC2 (0.44) ATRHDAC3HDAC1HDAC2
SCHEMBL19365297 0.82 HDAC2 (0.41) ATRHDAC3HDAC1HDAC2
SCHEMBL19706243 0.79 TYRO3 (0.44) ATRJAK2JAK3
SCHEMBL19670617 0.79 MAPK1 (0.42) HDAC3HDAC1HDAC2

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 3 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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ATR 1867/4885PRKCA 1268/4885PRKCQ 1416/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ATR 1867/4885PRKCA 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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