SCHEMBL24869680

SCHEMBL24869680

COc1cc2c(cc1[N+](=O)[O-])COCC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.41
HTT P42858 2/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL29596569 0.81 CYP3A4 (0.48) ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL26114837 0.80 ALDH1A1 (0.40) RAB9APOLBALDH1A1LMNANPC1
SCHEMBL2060778 0.78 TDP1 (0.47) SIRT6HTTKMT2ARAB9APOLB
SCHEMBL7818047 0.78 MAPT (0.44) SIRT6HTTKMT2ARAB9APOLB
SCHEMBL2062089 0.77 HTR2A (0.54) SIRT6HTTKMT2ARAB9APOLB
SCHEMBL2574136 0.77 SIRT6 (0.57) SIRT6HTTKMT2ARAB9APOLB
SCHEMBL2060771 0.75 HTT (0.46) SIRT6HTTKMT2ARAB9APOLB
SCHEMBL6999879 0.75 SMN1; SMN2 (0.44) SIRT6HTTKMT2ARAB9APOLB
SCHEMBL7000490 0.75 SMN1; SMN2 (0.44) SIRT6HTTKMT2ARAB9APOLB
SCHEMBL24869682 0.74 CYP3A4 (0.38) ALDH1A1MAPTKDM4ECYP3A4

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 3 patents. 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
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
WO-2023281417-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALTY S.A. (CH) 2023-01-12 WO 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 SIRT6 1339/4885HTT 3321/4885KMT2A 2987/4885

“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.