SCHEMBL16775992

SCHEMBL16775992

COc1cncc(NC(=O)N2c3nc(-c4cccc(C#N)c4)ccc3NCC[C@H]2C)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.40
▸ BRAF P15056 1/20 0.38
▸ ADORA2A P29274 1/20 0.35
▸ MLNR O43193 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ HDAC2 Q92769 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ GPR6 P46095 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
SCHEMBL16775991 0.88 THRB (0.39) GRM5ADORA2AMLNRMTORLRRK2
SCHEMBL16775934 0.87 USP30 (0.40) GRM5ADORA2ALRRK2GSK3AGSK3B
SCHEMBL16775985 0.87 GRM5 (0.38) GRM5ADORA2AMLNRMTORLRRK2
SCHEMBL19365517 0.86 BRAF (0.40) GRM5BRAFADORA2AMTORBRD4
SCHEMBL16775980 0.84 GRM5 (0.39) GRM5ADORA2AMLNRMTORLRRK2
SCHEMBL16775933 0.84 USP30 (0.39) GRM5ADORA2AMLNRMTORLRRK2
SCHEMBL19670392 0.84 GRM5 (0.38) GRM5BRAFADORA2AMLNRMTOR
SCHEMBL16775982 0.83 CACNA1G (0.43) GRM5BRAF
SCHEMBL16775983 0.83 HDAC2 (0.39) GRM5ADORA2AMLNRMTORGSK3B
SCHEMBL16775990 0.83 ADORA2A (0.39) GRM5ADORA2AMLNRMTORLRRK2

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 GRM5 3471/4885BRAF 3419/4885ADORA2A 2325/4885

“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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