SCHEMBL21064505

SCHEMBL21064505

Cc1ccc(C(C(=O)N2CCc3c(nc(N)[nH]c3=O)C2)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ TYMS P04818 3/20 0.36
▸ F12 P00748 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ XDH P47989 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SPR P35270 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ RGS12 O14924 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ BLM P54132 1/20 0.32

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
SCHEMBL13249922 0.69 KMT2A (0.41) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL21064517 0.66 GPBAR1 (0.53) TYMSMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6848735 0.65 TSHR (0.49) ADORA2AADORA1MAPTKMT2ASPR
SCHEMBL6848943 0.65 TSHR (0.57) ADORA2AADORA1SMN1; SMN2MEN1KMT2A
SCHEMBL21003097 0.63 ADORA2A (0.41) ADORA2AADORA1SPRPARP1HPGD
SCHEMBL23973185 0.63 MTHFD2 (0.42) MAPTSPRCYP3A4
SCHEMBL721339 0.61 SLC6A5 (0.58) SMN1; SMN2MEN1KMT2AKDM4EBLM
SCHEMBL13249856 0.58 PTGDR2 (0.38) KMT2ALMNA
SCHEMBL10568181 0.57 HPGD (0.53) TYMSMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8360518 0.57 PARP1 (0.56) CDK4CCND1PARP1TRPV1

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-10308656-B2 Small molecule inhibitors of Ku70/80 and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-06-04 — — 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-10308656-B2 Small molecule inhibitors of Ku70/80 and uses thereof XRCC6, XRCC5, RAD50 ADORA2A 4705/4885ADORA1 4772/4885TYMS 943/4885

“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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