SCHEMBL25947347

SCHEMBL25947347

O=C1NCCc2cc(CO)c([N+](=O)[O-])cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PARP10 Q53GL7 10/20 0.40
PARP1 P09874 6/20 0.40
PARP11 Q9NR21 6/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
PDPK1 O15530 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
GRM5 P41594 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL15471727 0.82 KDM4E (0.56) KDM4EPARP10PARP1PARP11F7
SCHEMBL31510260 0.81 KDM4E (0.45) KDM4EMAPTALDH1A1PARP10PARP1
SCHEMBL28899149 0.78 ALDH1A1 (0.66) KDM4EMAPTALDH1A1PARP10PARP1
SCHEMBL27087781 0.78 KDM4E (0.45) KDM4EMAPTALDH1A1PARP10PARP1
SCHEMBL17064696 0.78 PARP10 (0.50) KDM4EMAPTALDH1A1PARP10PARP1
SCHEMBL18875036 0.78 PARP10 (0.50) KDM4EMAPTALDH1A1PARP10PARP1
SCHEMBL27087811 0.78 PARP10 (0.50) KDM4EHTR2BMAPTALDH1A1PARP10
SCHEMBL15471844 0.77 PARP10 (0.51) KDM4EPARP10PARP1PARP11F7
SCHEMBL2205282 0.75 MEN1 (0.48) KDM4EMAPTALDH1A1PARP10PARP1
SCHEMBL26670926 0.75 PARP10 (0.43) KDM4ECYP1A2MAPTALDH1A1PARP10

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 KDM4E 1939/4885CYP1A2 2895/4885CYP2D6 1953/4885

“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.