SCHEMBL4996017

SCHEMBL4996017

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Br)c1OCC(=O)NCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 2/20 0.40
MIF P14174 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
APP P05067 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4991884 0.94 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL5000039 0.94 ALDH1A1 (0.46) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL4994851 0.89 APP (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL4997144 0.89 MIF (0.40) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL5002309 0.87 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL4999839 0.86 NSD2 (0.47) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL5002628 0.85 LMNA (0.45) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL4994665 0.84 PKM (0.53) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL4993519 0.84 POLB (0.45) ALDH1A1MAPTLMNASMN1; SMN2APP
SCHEMBL4997586 0.84 KMT2A (0.39) ALDH1A1MAPTLMNAKMT2AMEN1

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 ALDH1A1 4153/4885MAPT 1363/4885LMNA 4243/4885

“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.