SCHEMBL19207439

SCHEMBL19207439

CCOc1ccc(-c2nc(C(=N)NO)c3[nH]c(=O)n(-c4cccc([N+](=O)[O-])c4)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.47
HDAC4 P56524 7/20 0.47
HDAC1 Q13547 7/20 0.47
HDAC7 Q8WUI4 7/20 0.47
HDAC2 Q92769 7/20 0.47
HDAC10 Q969S8 7/20 0.47
HDAC11 Q96DB2 7/20 0.47
HDAC8 Q9BY41 7/20 0.47
HDAC6 Q9UBN7 7/20 0.47
HDAC9 Q9UKV0 7/20 0.47
HDAC5 Q9UQL6 7/20 0.47
CSNK2A1 P68400 7/20 0.46
USP2 O75604 3/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
ALPL P05186 1/20 0.43

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
SCHEMBL19207407 0.90 CSNK2A1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19207409 0.88 CSNK2A1 (0.61) CSNK2A1USP2TSHRKDM4ENPSR1
SCHEMBL19254434 0.87 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19207476 0.86 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19207433 0.82 CSNK2A1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19254423 0.80 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19254589 0.79 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19207430 0.78 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19254584 0.78 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19207493 0.78 CSNK2A1 (0.65) CSNK2A1USP2TSHRKDM4ENPSR1

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 5 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-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 HDAC3 4153/4885HDAC4 3608/4885HDAC1 2598/4885
US-10765681-B2 Purine compounds possessing anticancer activity NTPCR, PNP, NUDT1 HDAC3 4153/4885HDAC4 3608/4885HDAC1 2598/4885

“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.