SCHEMBL14795124

SCHEMBL14795124

C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3ccc(C(=O)NCc4ccccc4)s3)cnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.42
HDAC1 Q13547 8/20 0.38
CYP3A4 P08684 1/20 0.38
DGAT1 O75907 2/20 0.38
AKT3 Q9Y243 2/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
PTPN7 P35236 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ACKR3 P25106 2/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL14795236 0.90 DGAT1 (0.33) HDAC1DGAT1AKT3HDAC3HDAC4
SCHEMBL1369830 0.89 ESRRG (0.37) ESRRGHDAC1CYP3A4DGAT1AKT3
SCHEMBL14796992 0.84 DGAT1 (0.34) DGAT1
SCHEMBL14795127 0.83 DYRK1A (0.37) ESRRGDGAT1DYRK1ADYRK1B
SCHEMBL14795118 0.81 DGAT1 (0.34) CYP3A4DGAT1
SCHEMBL14795133 0.81 MAPT (0.35) ESRRGDGAT1
SCHEMBL1370838 0.79 DGAT1 (0.34) DGAT1
SCHEMBL14655487 0.79 DGAT1 (0.38) DGAT1
SCHEMBL1370835 0.79 DGAT1 (0.35) DGAT1AKT3
SCHEMBL1370890 0.78 DGAT1 (0.39) DGAT1

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-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP 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-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 ESRRG 2217/4885HDAC1 1971/4885CYP3A4 3241/4885

“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.