SCHEMBL19898623

SCHEMBL19898623

CC(C)(C)[Si](OCC1CCC(N)CN1S(C)(=O)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.35
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19898477 0.90 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL19898753 0.81 SMYD2 (0.33) SMYD2
SCHEMBL23665772 0.76 CASP3 (0.36) SMYD2
SCHEMBL19898593 0.76 CAPN1 (0.36) SMYD2
SCHEMBL23665881 0.75 SMYD2 (0.37) SMYD2
SCHEMBL1694413 0.74 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL1694412 0.74 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31620808 0.73 CASP3 (0.35) SMYD2
SCHEMBL5151940 0.72 SRC (0.40) SMYD2CYP3A4
SCHEMBL23665886 0.72 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11020398-B2 Amino-pyrrolopyrimidinone compounds and methods of use thereof ARQULE, INC. (US) 2021-06-01 US disclosed
EP-3504213-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ArQule, Inc. (US) 2019-07-03 EP disclosed
WO-2018039310-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2018-03-01 WO disclosed
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. 2018-03-01 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-11020398-B2 Amino-pyrrolopyrimidinone compounds and methods of use thereof BTK, SYK, LCK SMYD2 3536/4885CYP3A4 2040/4885HTT 1875/4885
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF BTK, SYK, LCK SMYD2 3536/4885CYP3A4 2040/4885HTT 1875/4885

“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.