SCHEMBL4999839

SCHEMBL4999839

COc1ccccc1NC(=O)COc1c(Br)cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.47
UBE2N P61088 1/20 0.47
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.42
RPS6KA3 P51812 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 3/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL4991140 0.96 UBE2N (0.43) NSD2UBE2NKMT2AMEN1POLB
SCHEMBL5002628 0.94 LMNA (0.45) NSD2UBE2NKMT2AMEN1POLB
SCHEMBL4994665 0.93 PKM (0.53) NSD2UBE2NKMT2AMEN1POLB
SCHEMBL4997144 0.92 MIF (0.40) NSD2UBE2NKMT2AMEN1POLB
SCHEMBL5000532 0.89 CDK4 (0.51) UBE2NKMT2AMEN1POLBSMN1; SMN2
SCHEMBL4997586 0.88 KMT2A (0.39) KMT2AMEN1POLBALDH1A1PKM
SCHEMBL5000039 0.88 ALDH1A1 (0.46) NSD2UBE2NKMT2AMEN1POLB
SCHEMBL4995827 0.88 LMNA (0.51) NSD2UBE2NKMT2AMEN1POLB
SCHEMBL4993887 0.87 MAPT (0.48) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL4996017 0.86 ALDH1A1 (0.42) KMT2AMEN1POLBALDH1A1SMN1; 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 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 NSD2 1341/4885UBE2N 3386/4885KMT2A 1490/4885

“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.