SCHEMBL2322796

SCHEMBL2322796

Cc1nccn2c(C3CCC(C(C)NC(=O)O)CC3)nc(Br)c12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.39
TNK2 Q07912 8/20 0.35
CNR2 P34972 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
RIPK1 Q13546 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
MDM2 Q00987 1/20 0.33
EPHX2 P34913 1/20 0.33
BTK Q06187 2/20 0.33

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
SCHEMBL2322788 1.00 IDO1 (0.39) IDO1TNK2CNR2JAK2JAK1
SCHEMBL2321328 0.83 CNR2 (0.39) TNK2CNR2BTK
SCHEMBL14118218 0.80 IGF1R (0.45) TNK2BTK
SCHEMBL14118213 0.80 IGF1R (0.45) TNK2BTK
SCHEMBL2324725 0.79 BTK (0.39) TNK2BTK
SCHEMBL2324721 0.79 BTK (0.39) TNK2BTK
SCHEMBL14118216 0.78 TNK2 (0.38) TNK2BTK
SCHEMBL20555020 0.77 TNK2 (0.39) TNK2BTK
SCHEMBL2320263 0.77 BTK (0.43) TNK2BTK
SCHEMBL2320268 0.77 BTK (0.43) TNK2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658794-B2 8-methyl-1-phenyl-imidazol[1,5-a]pyrazine compounds as Lck inhibitors and uses thereof MERCK SHARP & DOHME B.V. (NL) 2014-02-25 US disclosed
US-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2012-12-06 US disclosed
WO-2011095556-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2011-08-11 WO 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-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS LCK, ZAP70, FYN IDO1 150/4885TNK2 142/4885CNR2 2049/4885

“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.