SCHEMBL3477375

SCHEMBL3477375

NC(=O)c1ccc2sc3nccn3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BRPF1 P55201 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FGFR1 P11362 1/20 0.37
MAP2K3 P46734 2/20 0.36
MAPK14 Q16539 1/20 0.36
DYRK1A Q13627 1/20 0.36
LMNA P02545 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MYC P01106 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35

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
SCHEMBL3477374 0.88 MAPK8 (0.44) MAPK8SMN1; SMN2KDM4EBRD4ALDH1A1
Hydrochloric Acid SCHEMBL31290659 0.87 MAPK8 (0.43) MAPK8SMN1; SMN2KDM4EBRD4ALDH1A1
Hydrochloric Acid SCHEMBL30722219 0.87 MAPK8 (0.43) MAPK8SMN1; SMN2KDM4EBRD4ALDH1A1
Formic Acid SCHEMBL29924695 0.83 MAPK8 (0.41) MAPK8SMN1; SMN2KDM4EBRD4ALDH1A1
Formic Acid SCHEMBL30537910 0.83 MAPK8 (0.41) MAPK8SMN1; SMN2KDM4EBRD4ALDH1A1
Formic Acid SCHEMBL29924830 0.83 MAPK8 (0.41) MAPK8SMN1; SMN2KDM4EBRD4ALDH1A1
Trifluoroacetic Acid SCHEMBL29925165 0.80 MAPK8 (0.39) MAPK8SMN1; SMN2KDM4EBRD4ALDH1A1
SCHEMBL3637625 0.78 ALDH1A1 (0.51) SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL11208928 0.78 TNKS2 (0.37) SMN1; SMN2KDM4EALDH1A1HSD17B10DYRK1A
SCHEMBL4658884 0.74 KDM4E (0.44) MAPK8SMN1; SMN2KDM4EALDH1A1FGFR1

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-9211296-B2 Therapeutic compounds for blocking DNA synthesis of POX viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-15 US disclosed
US-20130338117-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-12-19 US disclosed
US-8524719-B2 Therapeutic compounds for blocking DNA synthesis of pox viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-09-03 US disclosed
US-20120322770-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-20 US disclosed
US-8278342-B2 Therapeutic compounds for blocking DNA synthesis of pox viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-02 US disclosed
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 US disclosed
WO-2009008906-A2 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-01-15 WO 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 (3 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-20120322770-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM MAPK8 2499/4885SMN1; SMN2 4176/4885KDM4E 970/4885
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM MAPK8 2499/4885SMN1; SMN2 4176/4885KDM4E 970/4885
US-20130338117-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM MAPK8 2499/4885SMN1; SMN2 4176/4885KDM4E 970/4885

“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.