SCHEMBL5002628

SCHEMBL5002628

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Br)c1OCC(=O)Nc1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PKM P14618 1/20 0.41
AMY1A P0DUB6 1/20 0.41
NSD2 O96028 1/20 0.41
UBE2N P61088 1/20 0.41
DHODH Q02127 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4999839 0.94 NSD2 (0.47) LMNAKMT2AMEN1NPSR1PKM
SCHEMBL4995827 0.94 LMNA (0.51) LMNAKMT2AMEN1NPSR1PKM
SCHEMBL4994665 0.92 PKM (0.53) LMNAKMT2AMEN1NPSR1PKM
SCHEMBL4997144 0.91 MIF (0.40) LMNAKMT2AMEN1NPSR1PKM
SCHEMBL4991140 0.90 UBE2N (0.43) LMNAKMT2AMEN1NPSR1PKM
SCHEMBL4994570 0.89 AMY1A (0.53) LMNAKMT2AMEN1NPSR1AMY1A
SCHEMBL4997586 0.89 KMT2A (0.39) LMNAKMT2AMEN1PKMDHODH
SCHEMBL5000039 0.87 ALDH1A1 (0.46) LMNAKMT2AMEN1NPSR1PKM
SCHEMBL4993887 0.85 MAPT (0.48) LMNAKMT2AMEN1NPSR1PKM
SCHEMBL5002439 0.85 MAPT (0.42) KMT2AMEN1NPSR1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 LMNA 4243/4885KMT2A 1490/4885MEN1 2627/4885

“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.