SCHEMBL2912464

SCHEMBL2912464

Clc1ccc(C(Br)c2cncnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.64
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
HIF1A Q16665 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ADRB2 P07550 1/20 0.35

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
Bromide SCHEMBL5873324 0.98 CYP19A1 (0.62) CYP19A1TSHRMAPK1HIF1ATDP1
SCHEMBL1500533 0.82 TSHR (0.50) CYP19A1TSHRMAPK1HIF1ATDP1
SCHEMBL2914172 0.79 CYP19A1 (0.68) CYP19A1
SCHEMBL3274982 0.78 CYP19A1 (1.00) CYP19A1TSHRMAPK1HIF1ATDP1
SCHEMBL3299165 0.78 CYP19A1 (0.68) CYP19A1TSHRMAPK1HIF1ATDP1
Bromide SCHEMBL5873330 0.77 CYP19A1 (0.66) CYP19A1
SCHEMBL2912058 0.75 CYP19A1 (0.64) CYP19A1HPGD
SCHEMBL3297715 0.73 CYP19A1 (0.38) CYP19A1TSHRMAPK1HIF1ATDP1
SCHEMBL1528588 0.73 IDO1 (0.54) CYP19A1TSHRMAPK1HIF1ATDP1
SCHEMBL8176557 0.72 CYP19A1 (0.85) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263721-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3-AMINO-AZETIDINE DERIVATIVES, NOVEL DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA SA (FR) 2010-08-25 EP disclosed
EP-1263722-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA SA (FR) 2010-08-25 EP disclosed
US-7741316-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2010-06-22 US disclosed
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 EP disclosed
US-7132414-B2 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2006-11-07 US disclosed
US-20050130953-A1 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-06-16 US disclosed
US-6872717-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-03-29 US disclosed
CN-1185213-C Azetidine derivatives, preparation thereof and pharmaceutical compositions AVENTIS PHARMA SA (FR) 2005-01-19 CN disclosed
US-20040157823-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2004-08-12 US disclosed
US-6734176-B2 ARE CB1-RECEPTOR ANTAGONISTS AND ARE USEFUL IN THE TREATMENT AND PREVENTION OF DISORDERS AFFECTING THE CENTRAL NERVOUS, IMMUNE, CARDIOVASCULAR OR ENDOCRINE, RESPIRATORY, GASTROINTESTINAL AND REPRODUCTIVE SYSTEMS; DRUG ABUSE AVENTIS PHARMA S.A. (FR) 2004-05-11 US disclosed
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 US disclosed
EP-1263720-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
EP-1263722-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
EP-1263721-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3-AMINO-AZETIDINE DERIVATIVES, NOVEL DERIVATIVES AND PREPARATION THEREOF Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
US-6479479-B2 1-DIARYLMETHYL-4-ALKYL OR ALKYLSULFONYLALKYL-AZETIDINES; CANNABINOID RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS (CNS); CARDIOVASCULAR AND GLANDULAR DISORDERS; DRUG ABUSE; PSYCHOLOGICAL DISORDERS; AVENTIS PHARMA S.A. (FR) 2002-11-12 US disclosed
US-20020019383-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2002-02-14 US disclosed
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 US disclosed
WO-2001064633-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3-AMINO-AZETIDINE DERIVATIVES, NOVEL DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA S.A. (FR) 2001-09-07 WO disclosed
WO-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2001-09-07 WO disclosed
WO-2001064634-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA S.A. (FR) 2001-09-07 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-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 CYP19A1 617/4885TSHR 560/4885MAPK1 1857/4885
US-20020019383-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation HRH2, ALK, HRH1 CYP19A1 720/4885TSHR 799/4885MAPK1 2502/4885
US-20040157823-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation ALK, HRH2, HRH1 CYP19A1 919/4885TSHR 748/4885MAPK1 2485/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 CYP19A1 617/4885TSHR 560/4885MAPK1 1857/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 CYP19A1 1059/4885TSHR 410/4885MAPK1 4249/4885

“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.