SCHEMBL16775978

SCHEMBL16775978

Cc1nc(NC(=O)N2c3nc(-c4cccc(C#N)c4)ccc3NCC[C@H]2C)sc1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 2/20 0.38
▸ ADORA2A P29274 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MTOR P42345 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ USP30 Q70CQ3 3/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ 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
▸ KDM5A P29375 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
SCHEMBL16775986 0.86 SLC27A1 (0.36) USP30
SCHEMBL16775933 0.83 USP30 (0.39) MLNRADORA2AADORA1MTORUSP30
SCHEMBL16775982 0.82 CACNA1G (0.43) GRM5
SCHEMBL16775990 0.82 ADORA2A (0.39) MLNRADORA2AMTORUSP30GRM5
SCHEMBL16775991 0.82 THRB (0.39) MLNRADORA2AADORA3ADORA1MTOR
SCHEMBL16775980 0.82 GRM5 (0.39) MLNRADORA2AMTORUSP30GRM5
SCHEMBL16775989 0.82 RPS6KA3 (0.41) MLNRADORA2AMTORLRRK2
SCHEMBL16776264 0.82 SLC27A1 (0.35) USP30
SCHEMBL16775983 0.80 HDAC2 (0.39) MLNRADORA2AMTORGRM5
SCHEMBL16775942 0.80 HDAC2 (0.37) MLNRADORA2AMTOR

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 MLNR 3970/4885ADORA2A 2325/4885ADORA3 2733/4885

“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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