SCHEMBL2911147

SCHEMBL2911147

CCOC(=O)CC1CCCCN1C(=O)c1cc(-c2ccccc2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
EPHX2 P34913 1/20 0.45
PTGS2 P35354 1/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
GALR3 O60755 1/20 0.45
MGLL Q99685 6/20 0.42
MEN1 O00255 1/20 0.42
FAAH O00519 4/20 0.42
CA9 Q16790 1/20 0.41
SCD O00767 1/20 0.41
SCD5 Q86SK9 1/20 0.41
BCL2 P10415 2/20 0.40
MDM2 Q00987 2/20 0.40
MCL1 Q07820 2/20 0.40
RPA1 P27694 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2912065 0.91 MGLL (0.45) PTGS1EPHX2PTGS2KMT2AMGLL
SCHEMBL2919458 0.89 MGLL (0.46) PTGS1EPHX2PTGS2MGLLSCD
SCHEMBL13637496 0.88 MGLL (0.44) PTGS1EPHX2PTGS2KMT2AMGLL
SCHEMBL2914583 0.87 MGLL (0.44) PTGS1EPHX2PTGS2MGLLSCD
SCHEMBL13212909 0.86 MGLL (0.44) PTGS1EPHX2PTGS2MGLLSCD
Hydrochloric Acid SCHEMBL2918326 0.86 MGLL (0.43) PTGS1EPHX2PTGS2MGLLSCD
SCHEMBL2921275 0.85 MGLL (0.45) PTGS1EPHX2PTGS2MGLLSCD
SCHEMBL13637495 0.84 HPGD (0.54) PTGS1EPHX2PTGS2RAB9AKMT2A
SCHEMBL13627376 0.83 MGLL (0.41) PTGS1EPHX2PTGS2RAB9AMGLL
SCHEMBL2917722 0.82 SCD (0.44) PTGS1EPHX2PTGS2KMT2AMGLL

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 5 patents. 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-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 PTGS1 1/4885EPHX2 1972/4885PTGS2 2/4885

“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.