SCHEMBL6071018

SCHEMBL6071018

CC(C)Cn1cc2c(n1)-c1[nH]c3ccc(C(=O)O)cc3c1CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
GSK3B P49841 3/20 0.41
CDK5 Q00535 2/20 0.41
GSK3A P49840 1/20 0.41
CDK5R1 Q15078 1/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
B3GNT2 Q9NY97 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 5/20 0.41
MPL P40238 3/20 0.39
PPARG P37231 1/20 0.38
PARP1 P09874 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 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
SCHEMBL6071222 0.92 MPL (0.48) KMT2AB3GNT2KDM4EMPLPARP1
SCHEMBL6071372 0.89 GSK3B (0.43) KMT2AGSK3BCDK5GSK3ACDK5R1
SCHEMBL6071286 0.83 GSK3B (0.45) KMT2AGSK3BCDK5GSK3ACDK5R1
SCHEMBL6070804 0.81 MPL (0.51) KMT2AHSD17B10KDM4EMPLPARP1
SCHEMBL6070685 0.78 PARP1 (0.36) MAPTPOLBMPLPARP1MAPK10
SCHEMBL6071082 0.75 MPL (0.54) KMT2AHSD17B10KDM4EMPLPARP1
SCHEMBL6070734 0.73 GSK3B (0.47) KMT2AGSK3BCDK5GSK3ACDK5R1
SCHEMBL6071229 0.69 MAPK10 (0.65) KMT2AMAPTHSD17B10KDM4EALOX15
SCHEMBL6071582 0.68 CYP19A1 (0.45) KMT2AMAPTHSD17B10POLBKDM4E
SCHEMBL14731481 0.66 KDM4E (0.39) KMT2AGSK3BCDK5GSK3ACDK5R1

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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US claimed

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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 KMT2A 2104/4885GSK3B 463/4885CDK5 27/4885

“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.