SCHEMBL1330205

SCHEMBL1330205

CC(=O)Nc1ccccc1C#Cc1ccnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
NUDT1 P36639 2/20 0.41
JAK3 P52333 3/20 0.40
MELK Q14680 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK2 O75116 5/20 0.40
ROCK1 Q13464 5/20 0.40
PRKD3 O94806 4/20 0.40
PRKACA P17612 4/20 0.40
PRKCQ Q04759 4/20 0.40
MAP4K4 O95819 3/20 0.40
CSNK1A1 P48729 3/20 0.40
CDK9 P50750 3/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
TAOK1 Q7L7X3 2/20 0.40
AAK1 Q2M2I8 2/20 0.40

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
SCHEMBL1328470 0.84 NUDT1 (0.40) JAK2JAK1TYK2NUDT1JAK3
SCHEMBL27829003 0.83 ROCK1 (0.44) JAK2JAK1TYK2NUDT1JAK3
SCHEMBL1329657 0.82 JAK2 (0.51) JAK2JAK1TYK2NUDT1JAK3
SCHEMBL27829008 0.81 JAK3 (0.38) NUDT1JAK3MELKROCK2ROCK1
SCHEMBL1328582 0.80 KDM4E (0.55) JAK3MELKMEN1KMT2ACIT
SCHEMBL1328187 0.79 JAK3 (0.53) JAK2JAK1TYK2JAK3MELK
SCHEMBL2098077 0.78 NUDT1 (0.60) JAK2NUDT1JAK3ROCK1PRKD3
SCHEMBL1329895 0.78 NUDT1 (0.48) JAK2JAK1TYK2NUDT1JAK3
SCHEMBL1328408 0.77 ROCK1 (0.46) JAK2JAK1TYK2NUDT1JAK3
SCHEMBL1330027 0.77 NUDT1 (0.62) JAK2JAK1TYK2NUDT1JAK3

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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US claimed
CN-101918079-A Protein kinase inhibitors and use thereof MERCK SERONO SA 2010-12-15 CN claimed
EP-2231282-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-09-29 EP claimed
WO-2009094123-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-07-30 WO claimed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 JAK2 196/4885JAK1 193/4885TYK2 382/4885

“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.