SCHEMBL4288066

SCHEMBL4288066

O=C(O)Cn1c(Cl)nc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
HSD17B10 Q99714 1/20 0.65
LMNA P02545 1/20 0.63
APEX1 P27695 1/20 0.63
PTGDR2 Q9Y5Y4 5/20 0.58
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HPGD P15428 1/20 0.56

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
SCHEMBL8268180 0.81 KDM4E (0.67) KDM4EHSD17B10LMNAALDH1A1MEN1
SCHEMBL3587930 0.80 KDM4E (0.69) KDM4EHSD17B10LMNAAPEX1PTGDR2
SCHEMBL4292873 0.80 KDM4E (0.65) KDM4EHSD17B10APEX1PTGDR2ALDH1A1
SCHEMBL11145191 0.80 KDM4E (0.65) KDM4EHSD17B10APEX1PTGDR2ALDH1A1
SCHEMBL15643567 0.80 APEX1 (0.63) KDM4EHSD17B10LMNAAPEX1PTGDR2
SCHEMBL15643258 0.80 APEX1 (0.71) KDM4EHSD17B10LMNAAPEX1PTGDR2
SCHEMBL7922238 0.79 LMNA (0.66) KDM4EHSD17B10LMNAALDH1A1MEN1
SCHEMBL2220542 0.79 LMNA (0.59) KDM4EHSD17B10LMNAAPEX1ALDH1A1
SCHEMBL569988 0.79 KDM4E (0.70) KDM4EHSD17B10LMNAPTGDR2ALDH1A1
SCHEMBL3970391 0.79 LMNA (0.58) LMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US disclosed
EP-2601192-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2013-06-12 EP disclosed
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
WO-2012018909-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-09 WO disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US disclosed
EP-1896048-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-03-12 EP disclosed
EP-1883419-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-02-06 EP disclosed
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
WO-2006121588-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006121904-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006121860-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006091506-A2 NEUROPEPTIDE Y4 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 WO disclosed
WO-2006049681-A2 SELECTIVE NEUROPEPTIDE Y2 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-11 WO disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 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 (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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 KDM4E 2974/4885HSD17B10 1838/4885LMNA 2982/4885
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 KDM4E 4631/4885HSD17B10 1466/4885LMNA 4724/4885
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A KDM4E 1619/4885HSD17B10 140/4885LMNA 1292/4885

“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.