SCHEMBL5268748

SCHEMBL5268748

COc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(C)cn2)nn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MGLL Q99685 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMPD1 P17405 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CCKAR P32238 1/20 0.38
GABRA1 P14867 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
SCHEMBL5272053 0.90 CFTR (0.42) MGLLHPGDKDM4ECCKAR
SCHEMBL5266917 0.90 PTGS2 (0.43) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL5266953 0.88 MKNK1 (0.43) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL5269210 0.88 PTGS2 (0.41) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL5274316 0.88 PTGS2 (0.42) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL5269685 0.88 PTGS2 (0.41) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL5271420 0.87 NPC1 (0.37) MGLLRAB9ANPC1CCKAR
SCHEMBL2919430 0.86 MGLL (0.46) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL5274536 0.83 PTGS2 (0.43) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL5265509 0.83 ALDH1A1 (0.41) KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 PTGS2 4/4885KMT2A 3446/4885MEN1 3587/4885

“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.