SCHEMBL1145692

SCHEMBL1145692

COc1nc(N)cc(N)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.57
MAPK9 P45984 4/20 0.57
RECQL P46063 1/20 0.50
SQOR Q9Y6N5 7/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ADORA1 P30542 3/20 0.41
ADORA2A P29274 2/20 0.41
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
MAP4K2 Q12851 2/20 0.40
PKN2 Q16513 2/20 0.40
MAPK10 P53779 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
STK17A Q9UEE5 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 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
SCHEMBL20920951 0.84 MAPK8 (0.56) MAPK8MAPK9RECQLSQORGSK3A
SCHEMBL17163957 0.84 RECQL (0.67) MAPK8MAPK9RECQLSQORGSK3A
SCHEMBL1145009 0.81 MAPK8 (0.60) MAPK8MAPK9PRKD3MAP4K4MAP4K2
SCHEMBL1145445 0.81 MAPK8 (0.60) MAPK8MAPK9GSK3BPRKD3MAP4K4
SCHEMBL1145819 0.80 MAPK8 (0.48) MAPK8MAPK9SQORPRKD3MAP4K4
SCHEMBL1145762 0.77 MAPK8 (0.63) MAPK8MAPK9PRKD3MAP4K4MAP4K2
SCHEMBL1145775 0.75 MAPK8 (0.49) MAPK8MAPK9ADORA1PRKD3MAP4K4
SCHEMBL1145344 0.75 SMN1; SMN2 (0.56) MAPK8MAPK9ADORA1ADORA2AKDM4E
SCHEMBL1146078 0.75 MAPK8 (0.45) MAPK8MAPK9GSK3BPRKD3MAP4K4
SCHEMBL7893174 0.74 KDM4E (0.48) RECQLADORA1ADORA2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
US-20090142554-A1 Yellow Azo Dyes for Ink Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-06-04 US disclosed
US-20090142554-A1 Yellow Azo Dyes for Ink Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-06-04 US disclosed
WO-2007045829-A2 YELLOW AZO DYES FOR INK JET PRINTING FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-04-26 WO disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 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 (2 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 MAPK8 30/4885MAPK9 49/4885RECQL 4594/4885
US-20090142554-A1 Yellow Azo Dyes for Ink Jet Printing NR4A3, NR4A1, NR2E3 MAPK8 1130/4885MAPK9 1695/4885RECQL 1276/4885

“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.