SCHEMBL22971103

SCHEMBL22971103

COc1nccnc1Nc1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
CDK5 Q00535 2/20 0.41
DYRK1A Q13627 2/20 0.41
CDK5R1 Q15078 2/20 0.41
KDM4E B2RXH2 6/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.37
RECQL P46063 1/20 0.37
CHEK1 O14757 1/20 0.36
HPGD P15428 2/20 0.36
AURKA O14965 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL22970748 0.77 MAPK1 (0.40) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL16264676 0.77 GRM5 (0.58) KDM4EPOLBMEN1KMT2AGRM5
SCHEMBL22971211 0.76 CCNA2 (0.43) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL22971396 0.75 KDM4E (0.43) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL22971354 0.75 CCNA2 (0.39) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL22971226 0.75 KDM4E (0.42) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL5787755 0.73 KDR (0.47) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27756327 0.72 HSP90AA1 (0.41) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL22970844 0.71 KDM4E (0.40) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL22971101 0.71 KDM4E (0.47) KDM4EPOLBMEN1KMT2AALDH1A1

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-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2021-02-11 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-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC3 CCNA2 2324/4885CDK2 1221/4885CCNA1 600/4885

“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.