SCHEMBL2920388

SCHEMBL2920388

COc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2ccc(Cl)cc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 5/20 0.61
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
MGLL Q99685 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CHRNA7 P36544 1/20 0.52
PTGS2 P35354 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TACR2 P21452 1/20 0.50
TACR1 P25103 1/20 0.50
TACR3 P29371 1/20 0.50
CYP2C19 P33261 1/20 0.50
CCKAR P32238 1/20 0.48
KCNH2 Q12809 1/20 0.48
RPA1 P27694 1/20 0.47

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
SCHEMBL2911969 0.91 MGLL (0.57) MALT1MEN1KMT2AMAPTMGLL
SCHEMBL2917069 0.91 MGLL (0.57) MALT1MEN1KMT2AMAPTMGLL
SCHEMBL13627396 0.91 MGLL (0.68) MALT1MEN1KMT2AMAPTMGLL
SCHEMBL2911623 0.90 MGLL (0.56) MALT1MEN1KMT2AMAPTMGLL
SCHEMBL13637494 0.90 MGLL (0.56) MALT1MEN1KMT2AMAPTMGLL
SCHEMBL2917284 0.90 MGLL (0.63) MALT1MGLLSMN1; SMN2PTGS2CCKAR
SCHEMBL2914856 0.89 MGLL (0.54) MALT1MEN1KMT2AMAPTMGLL
SCHEMBL2910679 0.88 MGLL (0.53) MALT1MEN1KMT2AMAPTMGLL
SCHEMBL5265747 0.86 MGLL (0.51) MALT1MEN1KMT2AMAPTMGLL
SCHEMBL2921396 0.85 CCKAR (0.59) MGLLSMN1; SMN2NPSR1PTGS2CCKAR

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 6 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-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 4362/4885MEN1 4127/4885KMT2A 4370/4885

“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.