SCHEMBL25947319

SCHEMBL25947319

CN1CCc2cc(CO)c([N+](=O)[O-])cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTR2B P41595 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ GRM5 P41594 1/20 0.38
▸ AOC3 Q16853 2/20 0.37
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 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
SCHEMBL29771862 0.82 KMT2A (0.49) MEN1KMT2AHTR2BGRM5AOC3
SCHEMBL27156530 0.81 MEN1 (0.50) MEN1KMT2AHTR2BGRM5HTR2A
SCHEMBL30242496 0.80 MEN1 (0.49) MEN1KMT2AHTR2BCYP1A2CYP2D6
SCHEMBL28929559 0.80 MEN1 (0.49) MEN1KMT2AHTR2BCYP1A2CYP2D6
SCHEMBL25947321 0.78 MEN1 (0.50) MEN1KMT2AGRM5AOC3
SCHEMBL2205991 0.77 MEN1 (0.69) MEN1KMT2AGRM5
SCHEMBL30242551 0.77 MEN1 (0.69) MEN1KMT2AGRM5
SCHEMBL29771861 0.73 MEN1 (0.52) MEN1KMT2ACYP1A2CYP2D6GRM5
SCHEMBL25947347 0.73 KDM4E (0.46) HTR2BCYP1A2CYP2D6SLC6A4DRD3
SCHEMBL15727806 0.71 HTR1A (0.50) MEN1KMT2AHTR2A

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 MEN1 2549/4885KMT2A 2987/4885HTR2B 4673/4885

“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.

Send feedback