SCHEMBL4994665

SCHEMBL4994665

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Br)c1OCC(=O)Nc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
ABCG2 Q9UNQ0 3/20 0.45
ABCB1 P08183 3/20 0.42
MAPT P10636 3/20 0.40
NSD2 O96028 1/20 0.40
UBE2N P61088 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
GPR142 Q7Z601 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL4993887 0.94 MAPT (0.48) PKMABCG2ABCB1MAPTPSEN1
SCHEMBL4999839 0.93 NSD2 (0.47) PKMABCG2MAPTNSD2UBE2N
SCHEMBL5002628 0.92 LMNA (0.45) PKMABCG2MAPTNSD2UBE2N
SCHEMBL4987134 0.89 ABCG2 (0.49) PKMABCG2ABCB1MAPTPSEN1
SCHEMBL4997144 0.89 MIF (0.40) PKMMAPTNSD2UBE2NALDH1A1
SCHEMBL4991140 0.89 UBE2N (0.43) PKMMAPTNSD2UBE2NALDH1A1
SCHEMBL5000039 0.87 ALDH1A1 (0.46) PKMMAPTNSD2UBE2NALDH1A1
SCHEMBL4997586 0.86 KMT2A (0.39) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL4995827 0.85 LMNA (0.51) PKMMAPTNSD2UBE2NALDH1A1
SCHEMBL4996017 0.84 ALDH1A1 (0.42) PKMMAPTALDH1A1MEN1KMT2A

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 PKM 353/4885ABCG2 3340/4885ABCB1 2570/4885

“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.