SCHEMBL114359

SCHEMBL114359

O=C(Nc1ccncc1)c1ccc[nH]c1=O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.65
RAB9A P51151 2/20 0.58
JAK2 O60674 3/20 0.56
HTT P42858 2/20 0.56
POLB P06746 1/20 0.55
IKBKE Q14164 1/20 0.54
TBK1 Q9UHD2 1/20 0.54
PRKCI P41743 1/20 0.54
ALDH1A1 P00352 1/20 0.54
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.51
NCOA1 Q15788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NAPRT Q6XQN6 1/20 0.50

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
SCHEMBL3368022 0.85 TYK2 (0.70) TYK2RAB9AHTTPOLBALDH1A1
SCHEMBL1161155 0.81 TYK2 (0.69) TYK2RAB9ANPC1GAAKMT2A
Hydrochloric Acid SCHEMBL2591261 0.80 TYK2 (0.68) TYK2RAB9ANPC1GAAKMT2A
SCHEMBL21938137 0.80 TYK2 (0.68) TYK2RAB9AHTTPOLBALDH1A1
SCHEMBL27946675 0.79 JAK2 (0.77) TYK2RAB9AJAK2HTTPOLB
SCHEMBL3635868 0.79 TYK2 (1.00) TYK2RAB9APOLBALDH1A1NPC1
SCHEMBL7285113 0.78 TYK2 (0.64) TYK2RAB9AHTTALDH1A1NPC1
SCHEMBL29019199 0.77 TYK2 (0.49) TYK2RAB9AJAK2HTTIKBKE
SCHEMBL19747797 0.76 KMT2A (0.74) TYK2RAB9AJAK2HTTPOLB
SCHEMBL14715007 0.75 TYK2 (0.53) TYK2RAB9AIKBKETBK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249159-B2 Composition for treating hepatitis C virus, regulating phosphorylation of replicase INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-02-02 US claimed
US-20140219960-A1 NOVEL COMPOSITION FOR PREVENTING OR TREATING HEPATITIS C VIRUS, REGULATING PHOSPHORYLATION OF REPLICASE INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2014-08-07 US claimed
US-9249159-B2 Composition for treating hepatitis C virus, regulating phosphorylation of replicase INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-02-02 US disclosed
US-20140219960-A1 NOVEL COMPOSITION FOR PREVENTING OR TREATING HEPATITIS C VIRUS, REGULATING PHOSPHORYLATION OF REPLICASE INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2014-08-07 US disclosed
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
WO-2013002484-A1 NOVEL COMPOSITION FOR PREVENTING OR TREATING HEPATITIS C VIRUS, REGULATING PHOSPHORYLATION OF REPLICASE 연세대학교 산학협력단 (KR) 2013-01-03 WO disclosed
EP-2424841-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS Elan Pharmaceuticals Inc. (US) 2012-03-07 EP disclosed
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. 2011-01-13 US disclosed
WO-2010126914-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2010-11-04 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-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 TYK2 281/4885RAB9A 2458/4885JAK2 650/4885
US-20140219960-A1 NOVEL COMPOSITION FOR PREVENTING OR TREATING HEPATITIS C VIRUS, REGULATING PHOSPHORYLATION OF REPLICASE PRKCA, EIF2AK2, PRKCB TYK2 2003/4885RAB9A 2715/4885JAK2 1238/4885
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 TYK2 281/4885RAB9A 2458/4885JAK2 650/4885

“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.