SCHEMBL19207629

SCHEMBL19207629

CCOc1ccc(-c2nc(C#N)c3[nH]c(=O)n(-c4ccc([N+](=O)[O-])cc4)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 2/20 0.47
CSNK2A1 P68400 5/20 0.44
LMNA P02545 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
PTGS2 P35354 1/20 0.39
HDAC3 O15379 5/20 0.38
HDAC4 P56524 5/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC7 Q8WUI4 5/20 0.38
HDAC2 Q92769 5/20 0.38
HDAC10 Q969S8 5/20 0.38
HDAC11 Q96DB2 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
SCHEMBL19207433 0.90 CSNK2A1 (0.41) MEN1KMT2AHTTMAPTCSNK2A1
SCHEMBL19207423 0.84 CSNK2A1 (0.49) MEN1KMT2ACSNK2A1LMNASMN1; SMN2
SCHEMBL19207493 0.83 CSNK2A1 (0.65) MEN1KMT2AHTTMAPTCSNK2A1
SCHEMBL19207407 0.81 CSNK2A1 (0.49) MEN1KMT2AHTTMAPTCSNK2A1
SCHEMBL19254587 0.80 ALDH1A1 (0.41) MAPTLMNANPSR1HDAC3HDAC4
SCHEMBL19254586 0.79 ADORA2B (0.41) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL19207434 0.78 CSNK2A1 (0.47) MEN1KMT2AHTTMAPTCSNK2A1
SCHEMBL19254333 0.78 CSNK2A1 (0.47) MEN1KMT2AHTTMAPTCSNK2A1
SCHEMBL19207635 0.78 HDAC3 (0.60) MEN1KMT2ACSNK2A1LMNASMN1; SMN2
SCHEMBL19207409 0.74 CSNK2A1 (0.61) MEN1KMT2AHTTMAPTCSNK2A1

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 MEN1 1587/4885KMT2A 3206/4885HTT 3146/4885
US-10765681-B2 Purine compounds possessing anticancer activity NTPCR, PNP, NUDT1 MEN1 1587/4885KMT2A 3206/4885HTT 3146/4885

“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.