SCHEMBL19207433

SCHEMBL19207433

CCOc1ccc(-c2nc(C#N)c3[nH]c(=O)n(-c4cccc([N+](=O)[O-])c4)c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 7/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
USP2 O75604 3/20 0.39
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 1/20 0.38
HDAC3 O15379 5/20 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
SCHEMBL19207629 0.90 MEN1 (0.47) CSNK2A1USP2TSHRNPSR1KDM4E
SCHEMBL19207409 0.84 CSNK2A1 (0.61) CSNK2A1USP2TSHRNPSR1KDM4E
SCHEMBL19254333 0.83 CSNK2A1 (0.47) CSNK2A1USP2TSHRNPSR1KDM4E
SCHEMBL19207434 0.83 CSNK2A1 (0.47) CSNK2A1USP2TSHRNPSR1KDM4E
SCHEMBL19207439 0.82 HDAC3 (0.47) CSNK2A1USP2TSHRNPSR1KDM4E
SCHEMBL19207423 0.78 CSNK2A1 (0.49) CSNK2A1USP2TSHRKDM4EHSD17B10
SCHEMBL19254587 0.77 ALDH1A1 (0.41) USP2TSHRNPSR1KDM4EHSD17B10
SCHEMBL19207635 0.77 HDAC3 (0.60) CSNK2A1USP2TSHRKDM4EHSD17B10
SCHEMBL19254586 0.76 ADORA2B (0.41) NPSR1KDM4EHSD17B10MAPTMEN1
SCHEMBL19207493 0.73 CSNK2A1 (0.65) CSNK2A1USP2TSHRNPSR1KDM4E

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 4 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
US-20180369249-A1 PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY ACADEMIA SINICA (TW) 2018-12-27 US disclosed
WO-2017136689-A1 PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY ACADEMIA SINICA (TW) 2017-08-10 WO 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 (2 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-20180369249-A1 PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY NTPCR, PNP, NUDT1 CSNK2A1 2675/4885KEAP1 1692/4885NFE2L2 1008/4885
US-10765681-B2 Purine compounds possessing anticancer activity NTPCR, PNP, NUDT1 CSNK2A1 2675/4885KEAP1 1692/4885NFE2L2 1008/4885

“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.