SCHEMBL908971

SCHEMBL908971

C[Si](C)(C)CCOCn1ccc2c1ncc1ccc(C3CCCCC3)n12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
DGAT1 O75907 2/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 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
SCHEMBL12904173 0.87 AURKA (0.43) AURKAJAK1TYK2KDRFLT3
SCHEMBL12904171 0.82 AURKA (0.46) AURKAJAK1TYK2KDRFLT3
SCHEMBL1160321 0.80 BRD4 (0.30) BRD4CREBBP
SCHEMBL2359234 0.78 DGAT1 (0.35) DGAT1BRD4CREBBP
SCHEMBL1159822 0.77
SCHEMBL1159987 0.77
SCHEMBL1159824 0.77
SCHEMBL1933692 0.76 AURKA (0.36) AURKAJAK1KDRFLT3DGAT1
SCHEMBL12904146 0.73
SCHEMBL21632466 0.73 FEN1 (0.36) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361962-B2 Tricyclic inhibitors of JAK ROCHE PALO ALTO LLC (US) 2013-01-29 US disclosed
US-8361962-B2 Tricyclic inhibitors of JAK ROCHE PALO ALTO LLC (US) 2013-01-29 US disclosed
EP-2459566-A1 TRICYCLIC INHIBITORS OF JAK F. Hoffmann-La Roche AG (CH) 2012-06-06 EP disclosed
WO-2011012540-A1 TRICYCLIC INHIBITORS OF JAK F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO disclosed
US-20110021425-A1 TRICYCLIC INHIBITORS OF JAK BILLEDEAU ROLAND JOSEPH 2011-01-27 US disclosed
US-20110021425-A1 TRICYCLIC INHIBITORS OF JAK BILLEDEAU ROLAND JOSEPH 2011-01-27 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-20110021425-A1 TRICYCLIC INHIBITORS OF JAK JAK3, JAK1, JAK2 AURKA 1442/4885JAK1 2/4885TYK2 4/4885

“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.