SCHEMBL6385331

SCHEMBL6385331

COc1ccc(C2CC(c3cc(NC(=O)Cc4cccc5ccccc45)[nH]n3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49
PTPN1 P18031 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK8 P45983 6/20 0.45
MAPK9 P45984 6/20 0.45
MAPK10 P53779 6/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
NPY5R Q15761 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MCL1 Q07820 1/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL6385334 1.00 CCNA2 (0.49) CCNA2CDK2CCNA1PTPN1TDP1
SCHEMBL6386332 0.92 CCNA2 (0.48) CCNA2CDK2CCNA1PTPN1TDP1
SCHEMBL6386329 0.92 CCNA2 (0.48) CCNA2CDK2CCNA1PTPN1TDP1
SCHEMBL6389855 0.90 CCNA2 (0.52) CCNA2CDK2CCNA1MAPK8MAPK9
SCHEMBL6389857 0.90 CCNA2 (0.52) CCNA2CDK2CCNA1MAPK8MAPK9
SCHEMBL6388842 0.90 CCNA2 (0.55) CCNA2CDK2CCNA1MAPK8MAPK9
SCHEMBL6388838 0.90 CCNA2 (0.55) CCNA2CDK2CCNA1MAPK8MAPK9
SCHEMBL6389201 0.89 NPY5R (0.56) CCNA2CDK2CCNA1MAPK8MAPK9
SCHEMBL6389206 0.89 NPY5R (0.56) CCNA2CDK2CCNA1MAPK8MAPK9
SCHEMBL6391298 0.86 CCNA2 (0.49) CCNA2CDK2CCNA1L3MBTL1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209297-A1 Pyrazole derivatives PFIZER INC 2005-09-22 US claimed
US-20020103185-A1 Pyrazole derivatives PFIZER PRODUCTS INC. 2002-08-01 US claimed
US-20050209297-A1 Pyrazole derivatives PFIZER INC 2005-09-22 US disclosed
US-20020103185-A1 Pyrazole derivatives PFIZER PRODUCTS INC. 2002-08-01 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 (2 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-20050209297-A1 Pyrazole derivatives CDK1, CDK3, CDK5 CCNA2 482/4885CDK2 7/4885CCNA1 175/4885
US-20020103185-A1 Pyrazole derivatives CDK1, CDK5, CDK3 CCNA2 558/4885CDK2 5/4885CCNA1 251/4885

“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.