SCHEMBL19254587

SCHEMBL19254587

CCOc1ccc(-c2nc(C#N)c3[nH]c(=O)n(C)c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPK1 P28482 3/20 0.41
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL19254586 0.88 ADORA2B (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL19207635 0.80 HDAC3 (0.60) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL19207629 0.80 MEN1 (0.47) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL19207423 0.80 CSNK2A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL19254750 0.79 CSNK2A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL19254333 0.77 CSNK2A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL19207433 0.77 CSNK2A1 (0.41) KDM4EHSD17B10MAPK1MAPTLMNA
SCHEMBL19207434 0.77 CSNK2A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL19254589 0.77 HDAC3 (0.49) ALDH1A1KDM4EHPGDHDAC3HDAC4
SCHEMBL19207408 0.70 THRB (0.49) ALDH1A1KDM4EHPGDMAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10765681-B2 Purine compounds possessing anticancer activity ACADEMIA SINICA (TW) 2020-09-08 US disclosed
WO-2017136689-A1 PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY ACADEMIA SINICA (TW) 2017-08-10 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-10765681-B2 Purine compounds possessing anticancer activity NTPCR, PNP, NUDT1 ALDH1A1 247/4885KDM4E 3979/4885HPGD 323/4885

“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.