SCHEMBL22966532

SCHEMBL22966532

CC(C)(C)c1nc2c(s1)CN(CC(F)(F)F)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.44
RECQL P46063 1/20 0.44
DRD2 P14416 2/20 0.39
GRM5 P41594 5/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RY1 P47900 3/20 0.35
HRH3 Q9Y5N1 2/20 0.34
POLB P06746 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
DRD3 P35462 2/20 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
SCHEMBL17087992 0.88 RAD52 (0.47) RAD52RECQLDRD2GRM5GAA
SCHEMBL2700638 0.84 RAD52 (0.63) RAD52RECQLGRM5GAAALDH1A1
SCHEMBL22966515 0.83 RAD52 (0.43) RAD52RECQLDRD2GRM5GAA
SCHEMBL16809359 0.82 RAD52 (0.47) RAD52RECQLDRD2GRM5GAA
SCHEMBL16809329 0.81 RAD52 (0.49) RAD52RECQLDRD2GRM5GAA
SCHEMBL16285304 0.81 RAD52 (0.49) RAD52RECQLDRD2GRM5GAA
SCHEMBL16285309 0.80 RAD52 (0.44) RAD52RECQLDRD2GRM5GAA
SCHEMBL15596888 0.79 RAD52 (0.43) RAD52RECQLDRD2GRM5GAA
SCHEMBL17087990 0.79 RAD52 (0.43) RAD52RECQLDRD2GRM5GAA
SCHEMBL22966676 0.78 ALDH1A1 (0.45) RAD52RECQLGRM5GAAALDH1A1

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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP RAD52 2510/4885RECQL 1365/4885DRD2 4183/4885

“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.