SCHEMBL2126506

SCHEMBL2126506

c1ccc(CCNc2ccncc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.71
▸ KCNH2 Q12809 1/20 0.71
▸ GRIN2B Q13224 1/20 0.71
▸ L3MBTL1 Q9Y468 1/20 0.70
▸ KCNH3 Q9ULD8 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KDM6B O15054 1/20 0.51
▸ KDM4C Q9H3R0 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ FES P07332 1/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ FLT4 P35916 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ ROCK1 Q13464 2/20 0.49
▸ HTR7 P34969 2/20 0.49

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
SCHEMBL2569220 0.92 L3MBTL1 (0.70) F2KCNH2GRIN2BL3MBTL1KCNH3
SCHEMBL8874370 0.89 F2 (0.64) F2KCNH2GRIN2BL3MBTL1KCNH3
SCHEMBL24375975 0.85 L3MBTL1 (0.95) F2KCNH2GRIN2BL3MBTL1KCNH3
SCHEMBL21186859 0.85 L3MBTL1 (0.95) F2KCNH2GRIN2BL3MBTL1KCNH3
SCHEMBL11653014 0.85 L3MBTL1 (0.86) F2KCNH2GRIN2BL3MBTL1GAA
SCHEMBL88597 0.85 L3MBTL1 (0.95) F2KCNH2GRIN2BL3MBTL1KCNH3
Hydrochloric Acid SCHEMBL8746161 0.83 L3MBTL1 (1.00) F2KCNH2GRIN2BL3MBTL1KCNH3
SCHEMBL12443081 0.81 F2 (0.89) F2KCNH2GRIN2BL3MBTL1KCNH3
SCHEMBL10055000 0.81 L3MBTL1 (0.86) F2KCNH2GRIN2BL3MBTL1KCNH3
SCHEMBL15904401 0.79 L3MBTL1 (0.63) F2KCNH2GRIN2BL3MBTL1KCNH3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436630-B1 POLYMER-SUPPORTED 4-(N-BENZYL-N-METHYLAMINO)PYRIDINE CATALYST AND PROCESS FOR SAME REILLY IND INC (US) 1995-12-20 — — EP claimed
JP-4189883-A — — None — — JP disclosed
US-9951075-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2018-04-24 — — US disclosed
US-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF JANSSEN SCIENCES IRELAND UC (IE) 2017-09-28 — — US disclosed
US-9708328-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2017-07-18 — — US disclosed
US-20160158238-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof Janssen Sciencies Ireland UC (IE) 2016-06-09 — — US disclosed
US-20160159803-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof Janssen Sciences Ireland Unlimited Company (IE) 2016-06-09 — — US disclosed
US-9290502-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2016-03-22 — — US disclosed
EP-2948135-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS Case Western Reserve University (US) 2015-12-02 — — EP disclosed
WO-2014117089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2014-07-31 — — WO disclosed
CN-101171014-A Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARM LTD (IE) 2008-04-30 — — CN disclosed
EP-1881834-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF Tibotec Pharmaceuticals Ltd. (IE) 2008-01-30 — — EP disclosed
WO-2006120251-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-11-16 — — WO disclosed
JP-2004238380-A 4-PHENETHYLAMINOPYRIMIDINE DERIVATIVE, METHOD FOR PRODUCING THE SAME AND AGRICULTURAL OR HORTICULTURAL VERMIN-CONTROLLING AGENT UBE IND LTD 2004-08-26 — — JP disclosed
US-5597836-A NEMATOCIDES, INSECTICIDES, MITICIDES AND PLANT PATHOGENS DOWELANCO (US) 1997-01-28 — — US disclosed
EP-0555469-A4 4-(ARALKOXY OR ARALKYLAMINO)PYRIDINE PESTICIDES----------------- DOWELANCO (US) 1995-06-21 — — EP disclosed
US-5399564-A N-(4-pyridyl or 4-quinolinyl) arylacetamide and 4-(aralkoxy or aralkylamino) pyridine pesticides DOWELANCO (US) 1995-03-21 — — US disclosed
EP-0555469-A1 4-(ARALKOXY OR ARALKYLAMINO)PYRIDINE PESTICIDES----------------- DOWELANCO (US) 1993-08-18 — — EP disclosed
WO-1993005050-A1 4-(ARALKOXY OR ARALKYLAMINO)PYRIDINE PESTICIDES_________________ DOWELANCO (US) 1993-03-18 — — WO disclosed
JP-H04189883-A ADHESIVE HAVING ANISOTROPIC ELECTRICAL CONDUCTIVITY HITACHI CHEM CO LTD 1992-07-08 — — JP 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-20160159803-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof HCCS, HAVCR2, MAVS F2 884/4885KCNH2 4482/4885GRIN2B 4586/4885
US-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF HCCS, HAVCR2, MAVS F2 884/4885KCNH2 4482/4885GRIN2B 4586/4885
US-20160158238-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof HCCS, HAVCR2, MAVS F2 884/4885KCNH2 4482/4885GRIN2B 4586/4885

“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.

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