SCHEMBL2359261

SCHEMBL2359261

C[Si](C)(C)CCOCn1ccc2nc(N)cnc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.39
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL29734957 0.90 DGAT1 (0.39) DGAT1BRD4CREBBPALOX5APFEN1
SCHEMBL23208927 0.90 DGAT1 (0.39) DGAT1BRD4CREBBPALOX5APFEN1
SCHEMBL25786431 0.85 DGAT1 (0.42) DGAT1BRD4CREBBPMAPTPDE10A
SCHEMBL2318732 0.85 DGAT1 (0.38) DGAT1BRD4CREBBPNPC1MAPT
SCHEMBL29414815 0.84 DGAT1 (0.46) DGAT1BRD4CREBBPMAPT
SCHEMBL23001552 0.84 DGAT1 (0.41) DGAT1BRD4CREBBPMAPT
SCHEMBL908757 0.84 DGAT1 (0.46) DGAT1BRD4CREBBPMAPT
SCHEMBL1160200 0.84 DGAT1 (0.37) DGAT1BRD4CREBBPMAPT
SCHEMBL2377204 0.83 DGAT1 (0.38) DGAT1BRD4CREBBPMAPT
Hydrochloric Acid SCHEMBL908974 0.83 DGAT1 (0.36) DGAT1BRD4CREBBPMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
EP-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 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 (3 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 DGAT1 2419/4885BRD4 1047/4885CREBBP 4379/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 DGAT1 2419/4885BRD4 1047/4885CREBBP 4379/4885
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 DGAT1 4356/4885BRD4 407/4885CREBBP 1339/4885

“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.