SCHEMBL1371285

SCHEMBL1371285

CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3cccc(C)n3)nc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.40
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.34
TGFBR1 P36897 2/20 0.33
POLB P06746 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
P2RX7 Q99572 1/20 0.32
KLKB1 P03952 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
SCHEMBL1371282 0.89 DGAT1 (0.40) DGAT1MAPTKLKB1
SCHEMBL1696950 0.88 DGAT1 (0.41) DGAT1MEN1KMT2AMAPTTGFBR1
SCHEMBL1369633 0.87 JAK2 (0.39) DGAT1MAPT
SCHEMBL1368958 0.83 JAK2 (0.46) DGAT1
SCHEMBL1371876 0.80 POLB (0.39) DGAT1ALDH1A1MEN1TSHRKMT2A
SCHEMBL1370565 0.80 PDPK1 (0.36) DGAT1MAPT
SCHEMBL1370812 0.80 MTNR1A (0.34) DGAT1ALDH1A1MAPT
SCHEMBL1371432 0.80 KDR (0.36) DGAT1
SCHEMBL1696870 0.77 DGAT1 (0.40) DGAT1
Hydrochloric Acid SCHEMBL1370232 0.76 ACHE (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 DGAT1 4772/4885ALDH1A1 4484/4885MEN1 3977/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 DGAT1 4772/4885ALDH1A1 4484/4885MEN1 3977/4885

“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.