SCHEMBL30161833

SCHEMBL30161833

Cc1nc(N2CC3NCCOC3C2)sc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SCD O00767 1/20 0.31

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
SCHEMBL24854764 0.75 HRH4 (0.39) HRH4SCD
SCHEMBL27917197 0.72 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28801191 0.71 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL3328268 0.70 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL16432263 0.70 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL23556133 0.70 CRBN (0.43) HRH4
SCHEMBL13787617 0.68 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL22042060 0.67 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL16404868 0.67 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL4120139 0.67 ABCC2 (0.53)

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-20230002408-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2023-01-05 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-20230002408-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL PIK3CD 1786/4885PIK3CA 1701/4885PIK3CB 815/4885

“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.