SCHEMBL16775990

SCHEMBL16775990

C[C@@H]1CCNc2ccc(-c3cccc(C#N)c3)nc2N1C(=O)Nc1ccn(C)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.39
▸ PRKD1 Q15139 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ SYK P43405 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ MLNR O43193 2/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK3 Q15120 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR1F P30939 1/20 0.34
▸ HDAC2 Q92769 1/20 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
SCHEMBL16775933 0.87 USP30 (0.39) ADORA2ASYKMTORMLNRUSP30
SCHEMBL16775989 0.85 RPS6KA3 (0.41) ADORA2AMTORMLNRLRRK2
SCHEMBL16775991 0.85 THRB (0.39) ADORA2AMTORMLNRUSP30GRM5
SCHEMBL16775980 0.85 GRM5 (0.39) ADORA2AMTORMLNRUSP30GRM5
SCHEMBL16775934 0.83 USP30 (0.40) ADORA2AUSP30GRM5LRRK2
SCHEMBL16775985 0.83 GRM5 (0.38) ADORA2AMTORMLNRUSP30GRM5
SCHEMBL16775982 0.83 CACNA1G (0.43) GRM5
SCHEMBL19670172 0.83 ADORA2A (0.37) ADORA2APRKD1PRKD2SYKMTOR
SCHEMBL16775992 0.83 GRM5 (0.40) ADORA2AMTORMLNRUSP30GRM5
SCHEMBL16775838 0.82 KCNH2 (0.39) ADORA2A

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 1 patent. 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

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 ADORA2A 2325/4885PRKD1 2346/4885PRKD2 1825/4885

“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.

Send feedback