SCHEMBL6387017

SCHEMBL6387017

O=C(Cc1cccc2ccccc12)Nc1cc(C2CCC(NC(=O)c3ccccc3)C2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.53
CCNA2 P20248 1/20 0.53
CCNA1 P78396 1/20 0.53
CDK5 Q00535 7/20 0.48
CDK5R1 Q15078 7/20 0.48
SIGMAR1 Q99720 1/20 0.43
NPY5R Q15761 1/20 0.43
GSK3B P49841 2/20 0.41
CCNE1 P24864 1/20 0.41
GSK3A P49840 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK8 P45983 2/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL6387328 0.89 CDK2 (0.55) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6387480 0.87 CDK2 (0.52) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL5867539 0.86 CCNA2 (0.66) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6387335 0.83 CCNA2 (0.58) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6387325 0.82 CDK2 (0.56) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6388838 0.81 CCNA2 (0.55) CDK2CCNA2CCNA1SIGMAR1NPY5R
SCHEMBL6388842 0.81 CCNA2 (0.55) CDK2CCNA2CCNA1SIGMAR1NPY5R
SCHEMBL6386271 0.80 CDK2 (0.73) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6386267 0.80 CDK2 (0.73) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL6391003 0.79 CCNA2 (0.51) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209297-A1 Pyrazole derivatives PFIZER INC 2005-09-22 US claimed
EP-1313710-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Pfizer Products Inc. (US) 2003-05-28 EP claimed
US-20020103185-A1 Pyrazole derivatives PFIZER PRODUCTS INC. 2002-08-01 US claimed
WO-2002018346-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-03-07 WO claimed
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 7/4885CCNA2 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.