SCHEMBL310324

SCHEMBL310324

Nc1nc(N)c(-c2cccc(Cl)c2Cl)c(CF)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
ADRA1A P35348 2/20 0.50
MAOA P21397 1/20 0.50
MAPK1 P28482 1/20 0.50
SCN4A P35499 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
PDE3A Q14432 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.50
HEXA P06865 4/20 0.44
HEXB P07686 4/20 0.44
NUDT1 P36639 4/20 0.43
DHFR P00374 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL29384947 1.00 CYP2D6 (0.50) CYP2D6ADRA1AMAOAMAPK1SCN4A
Hydrochloric Acid SCHEMBL7767228 0.99 CYP2D6 (0.49) CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL324896 0.90 CYP2D6 (0.42) CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL5566857 0.89 CYP2D6 (0.48) CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL7771204 0.86 CYP2D6 (0.39) CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL6049489 0.85 HEXA (0.62) CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL6049486 0.85 CYP2D6 (0.50) CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL5069251 0.82 HEXA (0.48) CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL5072676 0.82 CYP2D6 (0.47) CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL136398 0.81 HEXA (0.43) CYP2D6ADRA1ASCN5ASCN9ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3964206-A1 COMPOUNDS FOR THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2022-03-09 EP claimed
US-8093268-B2 Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-) GLAXO GROUP LIMITED (GB) 2012-01-10 US claimed
US-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2010-04-29 US claimed
EP-2129381-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3, 5-DIAMIN0-6- (2, 3-DICHL0PHENYL) -L, 2, 4-TRIAZINE OR R (-) -2, 4-DIAMINO-5- (2, 3-DICHLOROPHENYL) -6-FLUOROMETHYL PYRIMIDINE AND AN NK1 Glaxo Group Limited (GB) 2009-12-09 EP claimed
WO-2008090117-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3, 5-DIAMIN0-6- (2, 3-DICHL0PHENYL) -L, 2, 4-TRIAZINE OR R (-) -2, 4-DIAMINO-5- (2, 3-DICHLOROPHENYL) -6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2008-07-31 WO claimed
US-6548507-B1 Use of sodium channel antagonists in the treatment of diseases mediated or exacerbated by neuronal apoptosis, such as multiple sclerosis; administering drugs such as lamotrigine SMITHKLINE BEECHAM CORPORATION 2003-04-15 US claimed
EP-0715851-B1 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders WELLCOME FOUND (GB) 2003-04-02 EP claimed
US-20030008842-A1 Formulations of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-09 US claimed
EP-0879230-B1 OPTICALLY ACTIVE PHENYL PYRIMIDINE DERIVATIVE AS ANALGESIC AGENT GLAXO GROUP LTD (GB) 2001-07-25 EP claimed
US-6124308-A ANALGESICS, ANTICONVULSANTS, TREATING IRRITABLE BOWEL SYNDROME OR BIPOLAR DISORDER GLAXO WELLCOME INC. (US) 2000-09-26 US claimed
EP-0879230-A2 OPTICALLY ACTIVE PHENYL PYRIMIDINE DERIVATIVE AS ANALGESIC AGENT GLAXO GROUP LIMITED (GB) 1998-11-25 EP claimed
WO-1997009317-A2 OPTICALLY ACTIVE PHENYL PYRIMIDINE DERIVATIVE AS ANALGESIC AGENT GLAXO GROUP LIMITED (GB) 1997-03-13 WO claimed
US-5597828-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS CEREBRAL ISCHEMIC DAMAGE AND EPILEPSY GLAXO WELLCOME INC. (US) 1997-01-28 US claimed
US-12533425-B2 Methods and systems using peptides for targeting and mapping human nerves in image guided surgery, diagnostics and therapeutic delivery ALUME BIOSCIENCES, INC. (US) 2026-01-27 US disclosed
EP-4484952-A2 OPTIMIZED PEPTIDES FOR TARGETING HUMAN NERVES AND THEIR USE IN IMAGE GUIDED SURGERY, DIAGNOSTICS AND THERAPEUTIC DELIVERY The Regents of the University of California (US) 2025-01-01 EP disclosed
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-10-31 US disclosed
EP-0715851-A2 Substituted phenylpyrimidine derivatives, useful in the treatment of prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-12 EP disclosed
EP-0713703-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-29 EP disclosed
US-5136080-A Intermediates for glutamate inhibitors BURROUGHS WELLCOME CO. (US) 1992-08-04 US disclosed
EP-0372934-A2 Pharmacologically active CNS compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 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 (4 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-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 KCNJ2, SCN5A, GRIK5 CYP2D6 407/4885ADRA1A 637/4885MAOA 1661/4885
US-12533425-B2 Methods and systems using peptides for targeting and mapping human nerves in image guided surgery, diagnostics and therapeutic delivery NGLY1, VGF, GAP43 CYP2D6 4211/4885ADRA1A 4619/4885MAOA 4874/4885
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 CYP2D6 4391/4885ADRA1A 903/4885MAOA 939/4885
US-20030008842-A1 Formulations of adenosine a1 agonists ADORA1, ADORA2B, ADORA2A CYP2D6 948/4885ADRA1A 6/4885MAOA 754/4885

“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.