SCHEMBL16775989

SCHEMBL16775989

C[C@@H]1CCNc2ccc(-c3cccc(C#N)c3)nc2N1C(=O)Nc1cnn(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.41
▸ RPS6KA2 Q15349 1/20 0.41
▸ MLNR O43193 2/20 0.37
▸ MET P08581 2/20 0.37
▸ SCD O00767 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ CLK2 P49760 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ ATR Q13535 1/20 0.35

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
SCHEMBL16775982 0.88 CACNA1G (0.43) RPS6KA3RPS6KA2PRKDCATR
SCHEMBL16775983 0.86 HDAC2 (0.39) RPS6KA2MLNROPRM1OPRD1MTOR
SCHEMBL16775990 0.85 ADORA2A (0.39) MLNRMTORLRRK2ADORA2A
SCHEMBL16775991 0.84 THRB (0.39) MLNRMTORLRRK2ADORA2AATR
SCHEMBL16775933 0.84 USP30 (0.39) MLNRMTORLRRK2ADORA2A
SCHEMBL16775979 0.83 CREBBP (0.44) OPRM1OPRD1MTORLRRK2ATR
SCHEMBL19670593 0.83 JAK1 (0.38) RPS6KA2MLNRMETSCDJAK1
SCHEMBL16775942 0.83 HDAC2 (0.37) MLNRMTORADORA2A
SCHEMBL16775980 0.82 GRM5 (0.39) MLNRMTORLRRK2ADORA2A
SCHEMBL16775978 0.82 MLNR (0.38) MLNRMTORLRRK2ADORA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (1 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RPS6KA3 2368/4885RPS6KA2 2318/4885MLNR 3970/4885

“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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