SCHEMBL3938440

SCHEMBL3938440

Nc1nnc(-c2ccc(Cl)cc2Cl)c(N)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.57
MAOA P21397 1/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
SCN4A P35499 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
PDE3A Q14432 1/20 0.57
SCN5A Q14524 1/20 0.57
SCN9A Q15858 1/20 0.57
SCN2A Q99250 1/20 0.57
SCN3A Q9NY46 1/20 0.57
SCN10A Q9Y5Y9 1/20 0.57
HSP90AB1 P08238 3/20 0.50
HSP90AA1 P07900 2/20 0.50
PIK3CG P48736 1/20 0.47
DPP4 P27487 6/20 0.47
KDM4E B2RXH2 1/20 0.46
MGAM O43451 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL31463178 1.00 CYP2D6 (0.57) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL31544625 1.00 CYP2D6 (0.57) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL3701926 0.86 SCN10A (0.57) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL10987104 0.83 CYP2D6 (0.50) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL3708084 0.83 CYP2D6 (0.54) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL6373751 0.83 MAPK1 (0.54) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL11067545 0.80 CYP2D6 (0.50) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL30413401 0.79 SCN9A (0.61) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL978226 0.79 SCN9A (0.61) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL10811842 0.79 SCN9A (0.75) CYP2D6MAOAMAPK1ADRA1ASCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0086502-B1 SUBSTITUTED AROMATIC TRIAZINES THE WELLCOME FOUNDATION LIMITED (GB) 1987-03-25 EP claimed
US-4563456-A 1,2,4-Triazines for treating gastrointestinal motility dysfunction WILLIAM H. RORER, INC. (US) 1986-01-07 US claimed
EP-0024351-B1 SOLID PHARMACEUTICAL FORMULATION CONTAINING SUBSTITUED PHENYL-TRIAZINES THE WELLCOME FOUNDATION LIMITED (GB) 1984-10-31 EP claimed
EP-0086502-A2 Substituted aromatic triazines THE WELLCOME FOUNDATION LIMITED (GB) 1983-08-24 EP claimed
US-4311701-A Treatment of convulsions with triazines BURROUGHS WELLCOME CO, A CORP.OF N.C. 1982-01-19 US claimed
EP-0024351-A1 Solid pharmaceutical formulation containing substitued phenyl-triazines THE WELLCOME FOUNDATION LIMITED (GB) 1981-03-04 EP claimed
EP-2043656-B1 NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIV GREENWICH (GB) 2014-02-12 EP disclosed
US-20130005732-A1 NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIVERSITY OF GREENWICH (GB) 2013-01-03 US disclosed
US-8268823-B2 Medical use of triazine derivatives UNIVERSITY OF GREENWICH (GB) 2012-09-18 US disclosed
US-20090291954-A1 Medical Use of Triazine Derivatives UNIVERSITY OF GREENWICH (GB) 2009-11-26 US disclosed
EP-2043656-A2 NEW MEDICAL USE OF TRIAZINE DERIVATIVES University of Greenwich (GB) 2009-04-08 EP disclosed
WO-2008007149-A2 NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIVERSITY OF GREENWICH (GB) 2008-01-17 WO disclosed
US-6329521-B2 Process for preparing substituted benzoyl cyanide amidinohydrazones CHEMAGIS, LTD. (IL) 2001-12-11 US disclosed
US-20010025118-A1 Process for preparing substituted benzoyl cyanide amidinohydrazones CHEMAGIS LTD. (IL) 2001-09-27 US disclosed
EP-1127873-A2 Process for preparing substituted Benzoyl Cyanide Amidinohydrazones Chemagis Ltd. (IL) 2001-08-29 EP disclosed
EP-0086502-B1 SUBSTITUTED AROMATIC TRIAZINES THE WELLCOME FOUNDATION LIMITED (GB) 1987-03-25 EP disclosed
EP-0024351-B1 SOLID PHARMACEUTICAL FORMULATION CONTAINING SUBSTITUED PHENYL-TRIAZINES THE WELLCOME FOUNDATION LIMITED (GB) 1984-10-31 EP disclosed
EP-0086502-A2 Substituted aromatic triazines THE WELLCOME FOUNDATION LIMITED (GB) 1983-08-24 EP disclosed
US-4311701-A Treatment of convulsions with triazines BURROUGHS WELLCOME CO, A CORP.OF N.C. 1982-01-19 US disclosed
EP-0024351-A1 Solid pharmaceutical formulation containing substitued phenyl-triazines THE WELLCOME FOUNDATION LIMITED (GB) 1981-03-04 EP 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-20010025118-A1 Process for preparing substituted benzoyl cyanide amidinohydrazones SLC6A19, CPS1, SLC1A5 CYP2D6 101/4885MAOA 1489/4885MAPK1 850/4885
US-20090291954-A1 Medical Use of Triazine Derivatives KCNH1, KCNJ1, KCNN1 CYP2D6 418/4885MAOA 803/4885MAPK1 2420/4885
US-20130005732-A1 NEW MEDICAL USE OF TRIAZINE DERIVATIVES KCNJ1, KCNH1, KCNJ11 CYP2D6 877/4885MAOA 1019/4885MAPK1 2140/4885

“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.