SCHEMBL6480498

SCHEMBL6480498

CCOC(=O)n1c(-c2cc[nH]n2)cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
NR1H2 P55055 6/20 0.44
NOD2 Q9HC29 2/20 0.44
NOD1 Q9Y239 2/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
PSMD14 O00487 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1H3 Q13133 1/20 0.39

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
SCHEMBL3972260 0.75 NOD2 (0.53) NR1H2NOD2NOD1MEN1KMT2A
SCHEMBL6488475 0.73 CA12 (0.35) CA12CA9NR1H2ALDH1A1L3MBTL1
SCHEMBL28615205 0.73 NOD2 (0.51) NR1H2NOD2NOD1MEN1KMT2A
SCHEMBL6706688 0.73 NOD2 (0.51) NR1H2NOD2NOD1MEN1KMT2A
SCHEMBL6479047 0.72 CA12 (0.42) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL6988991 0.72 NOD2 (0.71) NOD2NOD1MEN1KMT2AGAA
SCHEMBL4056238 0.72 NOD2 (0.50) NR1H2NOD2NOD1MEN1KMT2A
SCHEMBL5136650 0.70 NOD2 (0.55) NOD2NOD1MEN1KMT2AGAA
SCHEMBL11980494 0.69 NOD2 (0.48) NR1H2NOD2NOD1MEN1KMT2A
SCHEMBL28455040 0.69 NOD2 (0.47) NR1H2NOD2NOD1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 CA12 4824/4885CA9 2819/4885NR1H2 4085/4885

“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.