SCHEMBL2318325

SCHEMBL2318325

CN(C(=O)O)c1cnc2[nH]cc(Br)c2n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
SYK P43405 4/20 0.38
JAK2 O60674 7/20 0.34
JAK1 P23458 7/20 0.34
JAK3 P52333 7/20 0.34

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
SCHEMBL16177403 0.83 KDM5A (0.38) MAPK1SYKJAK2JAK1JAK3
SCHEMBL14795168 0.72 SYK (0.43) SYKJAK2JAK1JAK3
SCHEMBL14795112 0.71 SYK (0.46) SYKJAK2JAK1JAK3
SCHEMBL2319051 0.71 JAK3 (0.51) MAPK1JAK2JAK1JAK3
SCHEMBL2318322 0.69 MAPK1 (0.40) MAPK1SYKJAK2JAK1JAK3
SCHEMBL1934552 0.67 JAK2 (0.38) MAPK1SYKJAK2JAK1JAK3
SCHEMBL22941145 0.66 MAPK1 (0.52) MAPK1
SCHEMBL2340266 0.66 JAK3 (0.51) SYKJAK2JAK1JAK3
SCHEMBL14795166 0.64 SYK (0.41) SYKJAK2JAK1JAK3
SCHEMBL2317953 0.64 CA1 (0.40)

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
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
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 1496/4885SYK 1750/4885JAK2 49/4885
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 MAPK1 1973/4885SYK 1996/4885JAK2 206/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 MAPK1 1973/4885SYK 1996/4885JAK2 206/4885

“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.