SCHEMBL4993887

SCHEMBL4993887

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Br)c1OCC(=O)Nc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
PKM P14618 1/20 0.45
ALDH1A1 P00352 5/20 0.44
LMNA P02545 4/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.38
HTT P42858 2/20 0.38
ABCB1 P08183 2/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
GPR142 Q7Z601 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 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
SCHEMBL4994665 0.94 PKM (0.53) MAPTPKMALDH1A1LMNAPOLB
SCHEMBL4995827 0.92 LMNA (0.51) MAPTPKMALDH1A1LMNAPOLB
SCHEMBL4991140 0.91 UBE2N (0.43) MAPTPKMALDH1A1LMNAPOLB
SCHEMBL5002390 0.90 ALDH1A1 (0.39) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL4999860 0.89 HTT (0.45) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL5002309 0.88 ALDH1A1 (0.47) MAPTPKMALDH1A1LMNAPOLB
SCHEMBL4999839 0.87 NSD2 (0.47) MAPTPKMALDH1A1LMNAPOLB
SCHEMBL4999646 0.86 HSD17B1 (0.39) MAPTPKMALDH1A1LMNAPOLB
SCHEMBL5002628 0.85 LMNA (0.45) MAPTPKMALDH1A1LMNAPOLB
SCHEMBL4987134 0.85 ABCG2 (0.49) MAPTPKMLMNAABCG2ABCB1

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 MAPT 1363/4885PKM 353/4885ALDH1A1 4153/4885

“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.