SCHEMBL21889868

SCHEMBL21889868

Cc1nc(C)c(N2CCOCC2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
AURKA O14965 1/20 0.41
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
AURKB Q96GD4 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
AR P10275 3/20 0.40
AOC3 Q16853 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 4/20 0.39
NUDT1 P36639 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL3382272 0.81 FBP1 (0.45) PIK3CDPIK3CAPIK3CBAURKACDK4
SCHEMBL10242358 0.79 LMNA (0.43) PIK3CDPIK3CAPIK3CBAURKACDK4
SCHEMBL20369891 0.78 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL15720353 0.78 KMT2A (0.40) PIK3CAALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL18412822 0.76 PIK3CA (0.46) PIK3CDPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL21755209 0.76 PIK3CA (0.52) PIK3CDPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL3387296 0.75 PIK3CA (0.48) PIK3CDPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL18396188 0.73 ALDH1A1 (0.51) PIK3CDPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL21889224 0.72 AOC3 (0.57) PIK3CDPIK3CAPIK3CBALDH1A1GAA
SCHEMBL21915139 0.70 AOC3 (0.61) PIK3CAALDH1A1KDM4EGAAMAPT

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
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
US-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 US disclosed
US-11001563-B2 SSAO inhibitor SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-11 US disclosed
US-20200115352-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-16 US disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP 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 (3 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-11001563-B2 SSAO inhibitor SSB, ASAH2, AOX1 PIK3CD 4350/4885PIK3CA 4320/4885PIK3CB 4286/4885
US-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 PIK3CD 4350/4885PIK3CA 4320/4885PIK3CB 4286/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 PIK3CD 4350/4885PIK3CA 4320/4885PIK3CB 4286/4885

“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.