SCHEMBL5000532

SCHEMBL5000532

COc1ccccc1NC(=O)COc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
AMY1A P0DUB6 1/20 0.44
UBE2N P61088 1/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DHODH Q02127 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RPS6KA3 P51812 1/20 0.43
RPS6KA2 Q15349 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL4997131 0.96 KMT2A (0.52) CDK4CCND1KMT2AMEN1POLB
SCHEMBL4994570 0.94 AMY1A (0.53) CDK4CCND1KMT2AMEN1POLB
SCHEMBL4987134 0.93 ABCG2 (0.49) CDK4CCND1KMT2AAMY1AMAPT
SCHEMBL4991753 0.91 DHODH (0.50) CDK4CCND1KMT2AMEN1POLB
SCHEMBL4994720 0.91 RPS6KA3 (0.44) CDK4CCND1KMT2AMEN1POLB
SCHEMBL4999839 0.89 NSD2 (0.47) CDK4CCND1KMT2AMEN1POLB
SCHEMBL4999676 0.88 KMT2A (0.48) CDK4CCND1KMT2AMEN1POLB
SCHEMBL4991744 0.88 AMY1A (0.46) CDK4CCND1KMT2AMEN1POLB
SCHEMBL4996880 0.88 DHODH (0.49) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL4999586 0.87 DHODH (0.52) CDK4CCND1KMT2AMEN1UBE2N

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 CDK4 276/4885CCND1 2262/4885KMT2A 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.