SCHEMBL2915598

SCHEMBL2915598

COc1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2cc(SC)ccn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.42
HPGD P15428 4/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
CHRNA7 P36544 1/20 0.37
PTGS2 P35354 4/20 0.36
MGLL Q99685 3/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3R5 Q8WYR1 1/20 0.35
PIK3R3 Q92569 1/20 0.35
CCKAR P32238 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GFER P55789 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL2910906 0.89 CFTR (0.45) TSHRPIK3CDMAPTMEN1KMT2A
SCHEMBL2915269 0.87 CHRNA7 (0.42) MALT1HPGDCHRNA7PTGS2MGLL
SCHEMBL2918291 0.86 HPGD (0.46) MALT1HPGDCHRNA7PTGS2MGLL
SCHEMBL2918014 0.86 RPA1 (0.43) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL2916659 0.86 HPGD (0.45) MALT1HPGDCHRNA7PTGS2MGLL
SCHEMBL13637539 0.85 MALT1 (0.45) MALT1HPGDCHRNA7PTGS2MGLL
SCHEMBL2914784 0.85 KDM1A (0.43) MALT1HPGD
SCHEMBL2918833 0.82 JMJD6 (0.44) CHRNA7MAPTMEN1KMT2AALDH1A1
SCHEMBL2916599 0.81 MGLL (0.43) MALT1HPGDMGLLPIK3CDPIK3R2
SCHEMBL2911608 0.81 MGLL (0.46) MALT1HPGDPTGS2MGLLPIK3CD

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 7 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
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-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 MALT1 4362/4885HPGD 18/4885LMNA 4163/4885

“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.