SCHEMBL2377093

SCHEMBL2377093

Cc1cc2nc(Br)cnc2n1COCC[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.41
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.32
ABL1 P00519 1/20 0.31
RET P07949 1/20 0.31
KDR P35968 1/20 0.31
CDK7 P50613 1/20 0.31
CDK5 Q00535 1/20 0.31
PRKAA1 Q13131 1/20 0.31
AURKB Q96GD4 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
HTT P42858 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
SCHEMBL31533717 1.00 DGAT1 (0.41) DGAT1NPC1MAPTABL1RET
SCHEMBL2376498 0.85 NPC1 (0.35) DGAT1NPC1MAPTHTT
SCHEMBL27193391 0.83 DGAT1 (0.36) DGAT1NPC1MAPT
SCHEMBL27193428 0.82 DGAT1 (0.35) DGAT1NPC1MAPT
SCHEMBL21463677 0.81 DGAT1 (0.39) DGAT1NPC1MAPTHTT
SCHEMBL12389426 0.80 NPC1 (0.36) DGAT1NPC1MAPTHTT
SCHEMBL1192594 0.80 DGAT1 (0.38) DGAT1NPC1MAPTHTT
SCHEMBL2314920 0.79 DGAT1 (0.38) DGAT1NPC1MAPTABL1RET
SCHEMBL2320459 0.79 DGAT1 (0.39) DGAT1MAPT
SCHEMBL27193480 0.76 DGAT1 (0.40) 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-20240116892-A1 HETEROCYCLIC AMIDE AND UREA COMPOUNDS AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2024-04-11 US disclosed
CN-102232076-A Pyrrolopyrazinyl urea kinase inhibitors HOFFMANN LA ROCHE 2011-11-02 CN 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
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

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-20240116892-A1 HETEROCYCLIC AMIDE AND UREA COMPOUNDS AS JAK2 INHIBITORS JAK2, JAK1, JAK3 DGAT1 2179/4885NPC1 4372/4885MAPT 4161/4885
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 DGAT1 4356/4885NPC1 4394/4885MAPT 2618/4885

“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.