SCHEMBL6384221

SCHEMBL6384221

O=C(Cc1ccc(F)cc1F)Nc1cc(C2CCC2)[nH]n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.59
CDK5 Q00535 4/20 0.59
CCNE1 P24864 4/20 0.59
CDK9 P50750 3/20 0.59
CDK5R1 Q15078 3/20 0.59
CCNA2 P20248 12/20 0.58
CCNA1 P78396 12/20 0.58
CCNT1 O60563 1/20 0.54
CCNB2 O95067 1/20 0.52
CCNE2 O96020 1/20 0.52
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
NTRK1 P04629 2/20 0.50
NTRK3 Q16288 1/20 0.48
NTRK2 Q16620 1/20 0.48

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
SCHEMBL5867484 0.95 CDK2 (0.62) CDK2CDK5CCNE1CDK9CDK5R1
SCHEMBL6384350 0.88 CDK2 (0.66) CDK2CDK5CCNE1CDK9CDK5R1
SCHEMBL5867680 0.86 CDK2 (0.62) CDK2CDK5CCNE1CDK9CDK5R1
SCHEMBL6388795 0.85 CDK2 (0.59) CDK2CDK5CCNE1CDK9CDK5R1
SCHEMBL5867815 0.83 CDK2 (0.72) CDK2CDK5CCNE1CDK9CDK5R1
SCHEMBL6385981 0.81 CDK2 (0.67) CDK2CDK5CCNE1CDK9CDK5R1
SCHEMBL6385724 0.81 CDK2 (0.69) CDK2CDK5CCNE1CDK9CDK5R1
SCHEMBL5867616 0.80 CDK2 (0.77) CDK2CDK5CCNE1CDK9CDK5R1
SCHEMBL6388856 0.80 CDK2 (0.71) CDK2CDK5CCNE1CDK9CDK5R1
SCHEMBL22310696 0.79 CDK2 (0.65) CDK2CDK5CCNE1CDK9CDK5R1

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 disclosed
EP-1313710-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Pfizer Products Inc. (US) 2003-05-28 EP disclosed
US-20020103185-A1 Pyrazole derivatives PFIZER PRODUCTS INC. 2002-08-01 US disclosed
WO-2002018346-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-03-07 WO 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 7/4885CDK5 3/4885CCNE1 107/4885
US-20020103185-A1 Pyrazole derivatives CDK1, CDK5, CDK3 CDK2 5/4885CDK5 2/4885CCNE1 144/4885

“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.