SCHEMBL30549445

SCHEMBL30549445

CN(CO[Si](C)(C)C(C)(C)C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
DUT P33316 2/20 0.33
GRM5 P41594 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TOP2A P11388 1/20 0.32
HTT P42858 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
SCHEMBL11079026 0.76 ALDH1A1 (0.47) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL3342299 0.74 MEN1 (0.39) TAAR1DUTMEN1KMT2ACYP3A4
SCHEMBL5143481 0.71 DUT (0.35) DUTMEN1KMT2ACYP3A4CYP2C9
SCHEMBL2600472 0.70 CA12 (0.38) CA12CA2CA9TAAR1GRM5
SCHEMBL2600473 0.70 CA12 (0.44) CA12CA2CA9TAAR1GRM5
SCHEMBL1315036 0.69 IDO1 (0.46) TAAR1
SCHEMBL29967273 0.68 TAAR1 (0.33) CA12CA2CA9TAAR1GRM5
SCHEMBL6156624 0.68 TSHR (0.35) TAAR1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL16425203 0.67 HTT (0.46) CA12CA2CA9TAAR1SMN1; SMN2
SCHEMBL5145731 0.67 CA12 (0.41) CA12CA2CA9TAAR1GRM5

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-20230242546-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS SUDO BIOSCIENCES LIMITED (GB) 2023-08-03 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-20230242546-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS TYK2, PDXK, JAK1 CA12 4846/4885CA2 4160/4885CA9 4837/4885

“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.