SCHEMBL16611671

SCHEMBL16611671

COc1ncc(C#N)c2ccn(COCC[Si](C)(C)C)c12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3CA P42336 3/20 0.31
PIK3CG P48736 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
POLB P06746 1/20 0.30
MTOR P42345 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL30728208 0.83 DGAT1 (0.38) DGAT1MAPT
SCHEMBL27041306 0.83 DGAT1 (0.38) DGAT1MAPT
SCHEMBL16610937 0.82 DGAT1 (0.40) DGAT1MAPT
SCHEMBL30903046 0.79 DGAT1 (0.43) DGAT1
SCHEMBL16611566 0.79 DGAT1 (0.36) DGAT1
SCHEMBL20154999 0.79 DGAT1 (0.39) DGAT1
SCHEMBL27041354 0.78 DGAT1 (0.35) DGAT1
SCHEMBL15058992 0.77 KDM1A (0.34) DGAT1MAPT
SCHEMBL565470 0.77 KDM4E (0.34) DGAT1NPSR1MAPT
SCHEMBL29622593 0.77 KDM4E (0.34) DGAT1NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020034-A1 CBL-B INHIBITORS AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2024-01-25 WO disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 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 (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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 DGAT1 2448/4885TSHR 2755/4885NPSR1 2927/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 DGAT1 2448/4885TSHR 2755/4885NPSR1 2927/4885

“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.