SCHEMBL1276252

SCHEMBL1276252

O=c1[nH]c2[nH]cnc(=O)c2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.32
PARP1 P09874 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CDC7 O00311 1/20 0.30
IKBKB O14920 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
DYRK3 O43781 1/20 0.30
ROCK2 O75116 1/20 0.30
RPS6KA5 O75582 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
CDK1 P06493 1/20 0.30
FES P07332 1/20 0.30
RET P07949 1/20 0.30
IGF1R P08069 1/20 0.30
ROS1 P08922 1/20 0.30
PIM1 P11309 1/20 0.30
PHKG2 P15735 1/20 0.30
RPS6KB1 P23443 1/20 0.30

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
SCHEMBL3816282 0.68 PDPK1 (0.43) PDPK1PARP1ALDH1A1CDC7IKBKB
Hypoxanthine SCHEMBL17276814 0.64 ALDH1A1 (0.37) PDPK1PARP1ALDH1A1CDC7IKBKB
SCHEMBL8664276 0.64 PNP (0.32)
SCHEMBL726936 0.61 CNOT7 (0.41) PDPK1PARP1ALDH1A1
SCHEMBL7020146 0.60 PDPK1 (0.32) PDPK1PARP1ALDH1A1
SCHEMBL22283252 0.60 PDE3B (0.46) PDPK1PARP1ALDH1A1PIM1PIM3
SCHEMBL2300776 0.59 ALDH1A1 (0.34) PDPK1PARP1ALDH1A1CDC7IKBKB
SCHEMBL13627444 0.59 PARP1 (0.36) PARP1PIM1PIM3
SCHEMBL12410480 0.59 ADORA1 (0.38) PARP1ALDH1A1PIM1PIM3
SCHEMBL725336 0.58 KDM4E (0.33) PDPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8679472-B1 Crystal of human interferon alpha 2B in complex with zinc Merck, Sharp & Dohme Corp. (US) 2014-03-25 US disclosed
US-20110033422-A1 TREATMENTS FOR FLAVIVIRIDAE VIRUS INFECTION SCHERING CORPORATION 2011-02-10 US disclosed
US-7816339-B2 Treatments for Flaviviridae virus infection SCHERING CORPORATION (US) 2010-10-19 US disclosed
US-7592315-B2 Peptide viral entry inhibitors SCHERING CORPORATION (US) 2009-09-22 US disclosed
EP-1824482-A4 3, 5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO [4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS INC (US) 2009-08-26 EP disclosed
US-20090209483-A1 TREATMENTS FOR FLAVIVIRIDAE VIRUS INFECTION SCHERING CORPORATION 2009-08-20 US disclosed
US-7524831-B2 Treatments for Flaviviridae virus infection SCHERING CORPORATION (US) 2009-04-28 US disclosed
EP-1899368-A2 INTERFERON-IGG FUSION SCHERING CORPORATION (US) 2008-03-19 EP disclosed
EP-1824482-A1 3, 5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO [4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF Anadys Pharmaceuticals, Inc. (US) 2007-08-29 EP disclosed
US-20060269516-A1 Interferon-IgG fusion SCHERING CORPORATION 2006-11-30 US disclosed
WO-2006127757-A2 INTERFERON-IGG FUSION SCHERING CORPORATION (US) 2006-11-30 WO disclosed
US-20060198824-A1 Treatments for flaviviridae virus infection SCHERING CORPORATION 2006-09-07 US disclosed
WO-2006066080-A1 3, 5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO [4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
US-20060100148-A1 Peptide viral entry inhibitors SCHERING CORPORATION 2006-05-11 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 (5 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-20060198824-A1 Treatments for flaviviridae virus infection HAVCR2, EIF2AK2, HNRNPC PDPK1 4745/4885PARP1 2235/4885ALDH1A1 464/4885
US-20110033422-A1 TREATMENTS FOR FLAVIVIRIDAE VIRUS INFECTION HAVCR2, EIF2AK2, HNRNPC PDPK1 4745/4885PARP1 2235/4885ALDH1A1 464/4885
US-20090209483-A1 TREATMENTS FOR FLAVIVIRIDAE VIRUS INFECTION HAVCR2, EIF2AK2, HNRNPC PDPK1 4745/4885PARP1 2235/4885ALDH1A1 464/4885
US-20060100148-A1 Peptide viral entry inhibitors HAVCR2, VIP, TAP1 PDPK1 3723/4885PARP1 4579/4885ALDH1A1 4652/4885
US-20060269516-A1 Interferon-IgG fusion IFNG, IFNAR1, EIF2AK2 PDPK1 4713/4885PARP1 3693/4885ALDH1A1 4117/4885

“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.