SCHEMBL16775934

SCHEMBL16775934

COc1ccnc(NC(=O)N2c3nc(-c4cccc(C#N)c4)ccc3NCC[C@H]2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.40
▸ NOS1 P29475 2/20 0.40
▸ NOS2 P35228 2/20 0.40
▸ CLK4 Q9HAZ1 3/20 0.38
▸ GRM5 P41594 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GSK3B P49841 2/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL16775985 0.91 GRM5 (0.38) USP30CLK4GRM5USP2LMNA
SCHEMBL16775991 0.88 THRB (0.39) USP30GRM5LRRK2ADORA2A
SCHEMBL16775933 0.88 USP30 (0.39) USP30GRM5LRRK2ADORA2A
SCHEMBL16775992 0.87 GRM5 (0.40) USP30GRM5GSK3BGSK3ALRRK2
SCHEMBL16775980 0.85 GRM5 (0.39) USP30GRM5GSK3BLRRK2ADORA2A
SCHEMBL16775990 0.83 ADORA2A (0.39) USP30GRM5LRRK2ADORA2A
SCHEMBL16775982 0.81 CACNA1G (0.43) GRM5
SCHEMBL16775989 0.80 RPS6KA3 (0.41) LRRK2ADORA2A
SCHEMBL16775978 0.80 MLNR (0.38) USP30GRM5LRRK2ADORA2A
SCHEMBL16775983 0.79 HDAC2 (0.39) GRM5GSK3BADORA2A

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 USP30 119/4885NOS1 281/4885NOS2 300/4885

“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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