SCHEMBL21987485

SCHEMBL21987485

CC(C)(C)[Si](C)(C)OCC1CCN(C(=O)O)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.35
RIPK1 Q13546 3/20 0.34
FKBP1A P62942 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TOP2A P11388 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL21987437 0.90 KDM4E (0.38) SMYD2SMN1; SMN2TOP2ALMNAMEN1
SCHEMBL21987438 0.90 KDM4E (0.38) SMYD2SMN1; SMN2TOP2ALMNAMEN1
SCHEMBL21987604 0.89 SMYD2 (0.35) SMYD2RIPK1CYP3A4HTTSMN1; SMN2
SCHEMBL21987310 0.80 FKBP1A (0.32) FKBP1A
SCHEMBL554843 0.80 SMYD2 (0.40) SMYD2CYP3A4HTTSMN1; SMN2LMNA
SCHEMBL19898543 0.79 SMYD2 (0.35) SMYD2RIPK1CYP3A4HTTSMN1; SMN2
SCHEMBL21987812 0.79 KDM4E (0.40) LMNAMEN1KMT2A
SCHEMBL2392272 0.79 SMYD2 (0.33) SMYD2RIPK1
SCHEMBL21987810 0.79 KDM4E (0.40) LMNAMEN1KMT2A
SCHEMBL14486195 0.78 SMYD2 (0.36) SMYD2RIPK1CYP3A4HTTSMN1; SMN2

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 SMYD2 3852/4885RIPK1 2890/4885FKBP1A 2235/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 SMYD2 4324/4885RIPK1 4017/4885FKBP1A 915/4885

“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.