SCHEMBL1327698

SCHEMBL1327698

CN(C)c1ccccc1C#Cc1ccnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.43
JAK3 P52333 3/20 0.43
ROCK1 Q13464 3/20 0.43
IKBKB O14920 2/20 0.43
CSF1R P07333 2/20 0.43
PRKACA P17612 2/20 0.43
PRKCQ Q04759 2/20 0.43
AURKB Q96GD4 2/20 0.43
CHUK O15111 1/20 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
RET P07949 1/20 0.43
IGF1R P08069 1/20 0.43
FGFR1 P11362 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

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
SCHEMBL1328408 0.81 ROCK1 (0.46) JAK2JAK3ROCK1IKBKBCSF1R
SCHEMBL27829003 0.79 ROCK1 (0.44) JAK2JAK3ROCK1IKBKBCSF1R
SCHEMBL15941143 0.78 NUDT1 (0.47) JAK2JAK3ROCK1IKBKBCSF1R
SCHEMBL12125679 0.78 IKBKB (0.46) JAK2JAK3ROCK1IKBKBCSF1R
SCHEMBL1330601 0.78 LRRK2 (0.50) JAK2JAK3ROCK1IKBKBCSF1R
SCHEMBL857174 0.78 JAK2 (0.53) JAK2JAK3ROCK1IKBKBCSF1R
SCHEMBL1327827 0.78 BRD4 (0.48) JAK2JAK3ROCK1IKBKBCSF1R
SCHEMBL1328232 0.78 SNCA (0.50) JAK2JAK3ROCK1IKBKBCSF1R
SCHEMBL1327987 0.78 PTK2 (0.43) JAK2JAK3ROCK1IKBKBCSF1R
SCHEMBL3728671 0.77 PRKCI (0.42) JAK2JAK3ROCK1IKBKBCSF1R

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 4 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
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 196/4885JAK3 295/4885ROCK1 350/4885

“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.