SCHEMBL1328116

SCHEMBL1328116

O=C(O)Cc1ccccc1C#Cc1ccnc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.44
ROCK1 Q13464 2/20 0.43
JAK2 O60674 2/20 0.43
IKBKB O14920 2/20 0.43
CHUK O15111 2/20 0.43
RET P07949 2/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
CSF1R P07333 1/20 0.43
IGF1R P08069 1/20 0.43
FGFR1 P11362 1/20 0.43
PRKACA P17612 1/20 0.43
FLT1 P17948 1/20 0.43
LTK P29376 1/20 0.43
GRK5 P34947 1/20 0.43
KDR P35968 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAPK8 P45983 1/20 0.43

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
SCHEMBL1327987 0.84 PTK2 (0.43) NUDT1ROCK1JAK2IKBKBCHUK
SCHEMBL1327972 0.84 IKBKB (0.47) NUDT1ROCK1JAK2IKBKBCHUK
SCHEMBL1329344 0.84 ANO1 (0.41) NUDT1ROCK1JAK2IKBKBCHUK
SCHEMBL1328341 0.82 BTK (0.49) NUDT1ROCK1JAK2IKBKBCHUK
SCHEMBL1328540 0.82 IKBKB (0.48) NUDT1ROCK1JAK2IKBKBCHUK
SCHEMBL1328084 0.82 JAK2 (0.43) NUDT1ROCK1JAK2IKBKBCHUK
SCHEMBL1327814 0.81 BTK (0.47) ROCK1JAK2IGF1RJAK3AURKB
SCHEMBL27847620 0.80 NUDT1 (0.38) NUDT1ROCK1JAK2IKBKBCHUK
SCHEMBL1328119 0.79 NUDT1 (0.37) NUDT1ROCK1JAK2IKBKBCHUK
SCHEMBL1327853 0.79 JAK1 (0.44) NUDT1JAK2JAK3KDM4EJAK1

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 7 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
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
CN-101918079-A Protein kinase inhibitors and use thereof MERCK SERONO SA 2010-12-15 CN 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 NUDT1 3161/4885ROCK1 350/4885JAK2 196/4885

“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.