SCHEMBL2318322

SCHEMBL2318322

O=C(O)NCc1cnc2[nH]cc(Br)c2n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
ADORA2A P29274 1/20 0.31
GSK3B P49841 1/20 0.31
SYK P43405 3/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL16177401 0.83 NOTUM (0.37) MAPK1ADORA2AGSK3BSYKJAK2
SCHEMBL2319047 0.71 MAPK1 (0.46) MAPK1JAK2JAK1JAK3
SCHEMBL16178816 0.69 ALDH1A1 (0.34) MAPK1GSK3BSYKJAK3
SCHEMBL1934552 0.67 JAK2 (0.38) MAPK1SYKJAK2JAK1JAK3
SCHEMBL22941145 0.66 MAPK1 (0.52) MAPK1GSK3B
SCHEMBL14795103 0.65 JAK3 (0.45) SYKJAK2JAK1JAK3
SCHEMBL2099046 0.64 KDM4E (0.47)
SCHEMBL20501735 0.63 SMN1; SMN2 (0.34)
SCHEMBL11962909 0.63 MAPT (0.44)
SCHEMBL20598051 0.62 MAP4K1 (0.51) JAK2JAK3

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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
WO-2014169473-A1 6H-IMIDAZO[1,5-a]PYRROLO[2,3-e]PYRAZINE COMPOUNDS ABBVIE INC. (US) 2014-10-23 WO disclosed
US-20140315883-A1 6H-IMIDAZO[1,5-a]PYRROLO[2,3-e]PYRAZINE COMPOUNDS ABBVIE INC. (US) 2014-10-23 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-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 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-20140315883-A1 6H-IMIDAZO[1,5-a]PYRROLO[2,3-e]PYRAZINE COMPOUNDS IL5, IL2, IL15 MAPK1 1496/4885ADORA2A 1170/4885GSK3B 3993/4885
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 MAPK1 1973/4885ADORA2A 1350/4885GSK3B 1274/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 MAPK1 1973/4885ADORA2A 1350/4885GSK3B 1274/4885

“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.