SCHEMBL1013642

SCHEMBL1013642

FC(F)(F)c1ccc(-c2cc(Cl)nnc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.47
KIF11 P52732 4/20 0.42
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
TOP1 P11387 1/20 0.38
MAOB P27338 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
ENPP1 P22413 1/20 0.38
MPI P34949 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CASP3 P42574 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL1039216 0.84 MAOB (0.43) CASP1KIF11S1PR1S1PR3TOP1
SCHEMBL1038525 0.83 CASP1 (0.48) CASP1KIF11TOP1MAOBMKNK1
SCHEMBL1040447 0.83 MAP4K4 (0.45) CASP1KIF11S1PR1S1PR3TOP1
SCHEMBL1349546 0.81 KDM4E (0.46) MAOBDYRK1ADYRK2KDM4EALDH1A1
SCHEMBL30041884 0.80 CASP1 (0.56) CASP1KIF11TOP1MAOBALDH1A1
SCHEMBL1040032 0.79 SRC (0.45) CASP1KIF11TOP1MAOBMKNK1
SCHEMBL5918466 0.79 CASP1 (0.45) CASP1KIF11TOP1MAOBENPP1
SCHEMBL30042717 0.79 KIF11 (0.50) KIF11TOP1MAOBMKNK1MKNK2
SCHEMBL1041929 0.79 KIF11 (0.50) KIF11TOP1MAOBMKNK1MKNK2
SCHEMBL1043167 0.79 KDM4E (0.44) CASP1KIF11MAOBDYRK1ADYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3168224-A1 ORGANOZINC COMPOSITION Ludwig-Maximilians-Universität München (DE) 2017-05-17 EP disclosed
EP-3168224-A1 ORGANOZINC COMPOSITION Ludwig-Maximilians-Universität München (DE) 2017-05-17 EP disclosed
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 US disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
US-20050070545-A1 For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism TULARIK INC. (US) 2005-03-31 US disclosed
WO-2005013907-A2 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES JAPAN TOBACCO INC. (JP) 2005-02-17 WO disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 WO disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 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 (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-20050070545-A1 For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism PC, ACACB, ACAT1 CASP1 4042/4885KIF11 3316/4885S1PR1 1434/4885
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CASP1 1477/4885KIF11 2278/4885S1PR1 1267/4885
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CASP1 1374/4885KIF11 2440/4885S1PR1 1171/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CASP1 1602/4885KIF11 2210/4885S1PR1 1296/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CASP1 1433/4885KIF11 2444/4885S1PR1 1132/4885

“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.