SCHEMBL25947339

SCHEMBL25947339

CCN1CCc2cc(CO)c(N)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
KCNH2 Q12809 1/20 0.40
ABCB1 P08183 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
DRD1 P21728 1/20 0.38
PNMT P11086 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DHFR P00374 1/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAD52 P43351 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9885510 0.89 DRD2 (0.42) DRD2KCNH2ABCB1HRH3DRD1
SCHEMBL25947343 0.82 SIGMAR1 (0.40) DRD2ABCB1RAB9AKDM4EGAA
SCHEMBL25947310 0.81 CYP2C19 (0.52) DRD2DRD1CYP2C19
SCHEMBL25947333 0.81 ASIC3 (0.38) ABCB1L3MBTL1DHFRKDM4ESIGMAR1
SCHEMBL25947335 0.81 DRD2 (0.43) DRD2ABCB1L3MBTL1DHFRRAB9A
SCHEMBL25559250 0.80 RAD52 (0.43) DRD2KCNH2ABCB1HRH3DRD1
SCHEMBL22864687 0.76 ABCB1 (0.57) ABCB1L3MBTL1DHFRRAB9AKDM4E
SCHEMBL6369684 0.75 CA2 (0.48) DRD2ABCB1HRH3DRD1PNMT
SCHEMBL26754847 0.75 DRD2 (0.39) DRD2KCNH2ABCB1HRH3DRD1
SCHEMBL26745109 0.73 HRH3 (0.40) DRD2KCNH2ABCB1HRH3DRD1

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-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 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-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 DRD2 4862/4885KCNH2 4785/4885ABCB1 1563/4885

“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.