SCHEMBL725798

SCHEMBL725798

CN(Cc1cn(C)c2ncccc12)C(=O)/C=C/c1ccc(N)nc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM6B O15054 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
ELANE P08246 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DYRK1A Q13627 1/20 0.34

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
SCHEMBL2276122 1.00 POLB (0.37) POLBKDM4EKDM6BKDM5AKDM4C
SCHEMBL1093010 0.90 KDM4E (0.38) POLBKDM4EKDM6BKDM5AKDM4C
SCHEMBL726649 0.90 KDM4E (0.38) POLBKDM4EKDM6BKDM5AKDM4C
SCHEMBL725021 0.86 HDAC1 (0.44) HDAC1HDAC2HDAC6
SCHEMBL725024 0.86 HDAC1 (0.44) HDAC1HDAC2HDAC6
SCHEMBL1092577 0.84 POLB (0.37) POLBHDAC1HDAC2HDAC6
SCHEMBL726169 0.84 POLB (0.37) POLBHDAC1HDAC2HDAC6
SCHEMBL725257 0.83 POLB (0.38) POLBHDAC1HDAC2HDAC6
SCHEMBL727165 0.83 PTGS2 (0.40) POLBHDAC1HDAC2HDAC6
SCHEMBL727168 0.83 PTGS2 (0.40) POLBHDAC1HDAC2HDAC6

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 POLB 568/4885KDM4E 4583/4885KDM6B 4144/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 POLB 2413/4885KDM4E 2691/4885KDM6B 1252/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 POLB 568/4885KDM4E 4583/4885KDM6B 4144/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 POLB 568/4885KDM4E 4583/4885KDM6B 4144/4885

“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.