SCHEMBL25176208

SCHEMBL25176208

COc1cc(C)nc(CO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
P2RX7 Q99572 1/20 0.37
NQO2 P16083 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
CRHR1 P34998 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
LMNA P02545 1/20 0.35
PRNP P04156 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
SCHEMBL6990127 0.87 ALDH1A1 (0.46) DYRK1AALDH1A1KDM4ECYP3A4P2RX7
SCHEMBL12810896 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL379312 0.80 L3MBTL1 (0.40) DYRK1AALDH1A1KDM4ECYP3A4P2RX7
SCHEMBL31287881 0.78 ALDH1A1 (0.41) DYRK1AALDH1A1KDM4EPOLBCYP3A4
SCHEMBL3112874 0.78 ALDH1A1 (0.41) DYRK1AALDH1A1KDM4EPOLBCYP3A4
SCHEMBL7228698 0.78 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL17150219 0.78 GRM2 (0.37) DYRK1AALDH1A1KDM4EHPGDPOLB
SCHEMBL7231586 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL12250781 0.77 NOS3 (0.44) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL16815453 0.76 ALDH1A1 (0.38) DYRK1AALDH1A1KDM4EMEN1KMT2A

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-20230146483-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER NXERA PHARMA UK LIMITED (GB) 2023-05-11 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-20230146483-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER ADORA2A, ADORA1, ADORA3 DYRK1A 1774/4885ALDH1A1 111/4885KDM4E 3067/4885

“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.