SCHEMBL725797

SCHEMBL725797

CC(c1c[nH]c2ncccc12)N(C)C(=O)/C=C/c1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.41
GRM4 Q14833 1/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAP2K1 Q02750 1/20 0.37
GSK3B P49841 4/20 0.36
MTNR1A P48039 1/20 0.36
NEK2 P51955 1/20 0.35
PLK1 P53350 1/20 0.35
AKT1 P31749 1/20 0.35
NAMPT P43490 1/20 0.34
KMT2A Q03164 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
ADORA2A P29274 1/20 0.34
TGFBR1 P36897 1/20 0.33
MET P08581 1/20 0.33
GPR84 Q9NQS5 1/20 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
SCHEMBL725799 1.00 GRM8 (0.41) GRM8GRM4HDAC1HDAC6MAP2K1
SCHEMBL726650 0.91 HDAC1 (0.39) GRM8GRM4HDAC1HDAC6MAP2K1
SCHEMBL726648 0.91 HDAC1 (0.39) GRM8GRM4HDAC1HDAC6MAP2K1
SCHEMBL725022 0.87 HDAC3 (0.43) HDAC1HDAC6NAMPTKMT2AGPR84
SCHEMBL725023 0.87 HDAC3 (0.43) HDAC1HDAC6NAMPTKMT2AGPR84
SCHEMBL725264 0.85 HDAC1 (0.38) HDAC1HDAC6NAMPTMET
SCHEMBL725262 0.85 HDAC1 (0.38) HDAC1HDAC6NAMPTMET
SCHEMBL727167 0.85 MET (0.34) HDAC1HDAC6KMT2AMET
SCHEMBL726170 0.85 HDAC1 (0.38) HDAC1HDAC6NAMPTMET
SCHEMBL725233 0.85 DYRK1A (0.34) HDAC1HDAC6GSK3BNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US claimed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP claimed
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis DEBIOPHARM INTERNATIONAL SA (CH) 2013-10-24 US disclosed
EP-2579863-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS Affinium Pharmaceuticals, Inc. (CA) 2013-04-17 EP disclosed
US-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 US disclosed
WO-2011156811-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-12-15 WO disclosed
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 US disclosed
US-7790716-B2 fatty acid biosynthesis inhibitors such as E)-3-(6-aminopyridin-3-yl)-N-methyl-N-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)acrylamide, used fro the treatment of bacterial infections; antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-09-07 US disclosed
US-20090275572-A1 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-7557125-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-07-07 US disclosed
US-20050250810-A1 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-11-10 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 (4 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-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 GRM8 4851/4885GRM4 4850/4885HDAC1 87/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 GRM8 2805/4885GRM4 1803/4885HDAC1 488/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 GRM8 4851/4885GRM4 4850/4885HDAC1 87/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 GRM8 4851/4885GRM4 4850/4885HDAC1 87/4885

“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.