SCHEMBL14738846

SCHEMBL14738846

CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(Cl)cc(F)c34)nc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 1/20 0.31
KCNA3 P22001 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
MAPK1 P28482 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
SCHEMBL14744496 0.92 DGAT1 (0.32) DGAT1CNR1
SCHEMBL14738845 0.91 SYK (0.35) DGAT1
SCHEMBL14738054 0.90 DGAT1 (0.33) DGAT1
SCHEMBL14746970 0.88 HCAR2 (0.33) DGAT1MAPK1
SCHEMBL14737449 0.86 JAK2 (0.41) DGAT1CNR1CNR2MAPTPDE4B
SCHEMBL14737899 0.83 DGAT1 (0.30) DGAT1
SCHEMBL14738130 0.82 JAK2 (0.33) DGAT1MAPT
SCHEMBL14743870 0.81 DGAT1 (0.32) DGAT1
SCHEMBL14744385 0.81 MAPT (0.33) DGAT1MAPTMAPK1
SCHEMBL14738281 0.80 KDM5B (0.36) CNR2PDE4B

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 DGAT1 4426/4885CNR1 3290/4885CNR2 3309/4885

“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.