SCHEMBL21987291

SCHEMBL21987291

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nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 2/20 0.35
TSHR P16473 1/20 0.34
GLS O94925 1/20 0.34
PDE8B O95263 1/20 0.34
SRC P12931 3/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL22052542 1.00 NR1H2 (0.39) NR1H2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL21987288 1.00 NR1H2 (0.39) NR1H2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL26430593 0.91 ALDH1A1 (0.39) NR1H2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1914062 0.88 NR1H2 (0.43) NR1H2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL584023 0.88 NR1H2 (0.43) NR1H2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1914060 0.88 NR1H2 (0.43) NR1H2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL584186 0.88 NR1H2 (0.43) NR1H2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL21987310 0.86 FKBP1A (0.32)
SCHEMBL17042419 0.85 GPR119 (0.39) NR1H2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL22052541 0.84 ALDH1A1 (0.37) NR1H2ALDH1A1MEN1KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 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 (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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL NR1H2 24/4885ALDH1A1 1615/4885MEN1 4390/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 NR1H2 37/4885ALDH1A1 1584/4885MEN1 3150/4885

“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.