SCHEMBL2910907

SCHEMBL2910907

CNCCN1CCCNCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.65
PRMT6 Q96LA8 2/20 0.65
PRMT8 Q9NR22 2/20 0.65
CXCR4 P61073 8/20 0.57
RAD52 P43351 1/20 0.49
HSD17B10 Q99714 1/20 0.47
PRMT1 Q99873 1/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2C P18825 1/20 0.42
CCR2 P41597 1/20 0.42
CXCL12 P48061 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL681608 0.92 CARM1 (0.62) CARM1PRMT6PRMT8CXCR4RAD52
SCHEMBL24971199 0.81 CXCR4 (0.58) CARM1PRMT6PRMT8CXCR4RAD52
SCHEMBL5573157 0.80 CXCR4 (0.74) CXCR4RAD52HSD17B10MEN1KMT2A
SCHEMBL474948 0.80
SCHEMBL23337601 0.80 CXCR4 (0.74) CXCR4RAD52HSD17B10MEN1KMT2A
SCHEMBL9927938 0.80
SCHEMBL18427337 0.80 CARM1 (0.48) CARM1PRMT6PRMT8CXCR4RAD52
SCHEMBL25568895 0.80 CARM1 (0.48) CARM1PRMT6PRMT8CXCR4RAD52
SCHEMBL2918767 0.79 CXCR4 (0.50) CARM1PRMT6PRMT8CXCR4RAD52
SCHEMBL928301 0.79 CXCR4 (0.50) CARM1PRMT6PRMT8CXCR4RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed
EP-0595557-B1 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO INC (US) 2004-06-30 EP disclosed
CN-1043884-C Substituted azetidinones, process for their preparation and their use as medicaments MERCK & CO INC (US) 1999-06-30 CN disclosed
US-5747485-A RESPIRATORY SYSTEM DISORDERS MERCK & CO., INC. (US) 1998-05-05 US disclosed
EP-0755262-A4 COMPOSITION FOR THE TREATMENT OF LUNG DISEASE MERCK & CO INC (US) 1997-05-07 EP disclosed
EP-0755262-A1 COMPOSITION FOR THE TREATMENT OF LUNG DISEASE MERCK & CO. INC. (US) 1997-01-29 EP disclosed
US-5591737-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1997-01-07 US disclosed
WO-1995024207-A1 COMPOSITION FOR THE TREATMENT OF LUNG DISEASE MERCK & CO., INC. (US) 1995-09-14 WO disclosed
WO-1994010142-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-05-11 WO disclosed
EP-0595557-A1 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1994-05-04 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 (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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R CARM1 1940/4885PRMT6 3126/4885PRMT8 3173/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 CARM1 2231/4885PRMT6 3155/4885PRMT8 3316/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 CARM1 4606/4885PRMT6 4603/4885PRMT8 4702/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 CARM1 79/4885PRMT6 679/4885PRMT8 796/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 CARM1 4632/4885PRMT6 4661/4885PRMT8 4561/4885

“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.