SCHEMBL6385196

SCHEMBL6385196

CN(C)c1ccc(C(=O)NC2CC(c3cc(NC(=O)Cc4cccc5ccccc45)n[nH]3)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.65
CCNA2 P20248 7/20 0.65
CCNA1 P78396 7/20 0.65
CDK5 Q00535 8/20 0.50
CDK5R1 Q15078 8/20 0.50
NPY5R Q15761 1/20 0.47
CCNE1 P24864 4/20 0.45
GSK3B P49841 3/20 0.45
GSK3A P49840 1/20 0.45
CCNB2 O95067 1/20 0.45
CCNE2 O96020 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
POLB P06746 1/20 0.41
GRM5 P41594 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
SCHEMBL6385198 1.00 CDK2 (0.65) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6386267 0.90 CDK2 (0.73) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6386271 0.90 CDK2 (0.73) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6386367 0.88 CDK2 (0.65) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6386375 0.88 CDK2 (0.65) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6385071 0.86 CDK2 (0.66) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6385075 0.86 CDK2 (0.66) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6386943 0.85 CDK2 (0.76) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6386940 0.85 CDK2 (0.76) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6384208 0.84 CDK2 (0.64) CDK2CCNA2CCNA1CDK5CDK5R1

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 CDK2 7/4885CCNA2 482/4885CCNA1 175/4885
US-20020103185-A1 Pyrazole derivatives CDK1, CDK5, CDK3 CDK2 5/4885CCNA2 558/4885CCNA1 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.