SCHEMBL6389201

SCHEMBL6389201

O=C(Cc1cccc2ccccc12)Nc1cc(C2CC(c3ccc(Cl)cc3)C2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.56
CDK2 P24941 2/20 0.52
CCNA2 P20248 1/20 0.52
CCNA1 P78396 1/20 0.52
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
MAPK8 P45983 3/20 0.44
MAPK9 P45984 3/20 0.44
MAPK10 P53779 3/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
PTGER4 P35408 1/20 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
SCHEMBL6389206 1.00 NPY5R (0.56) NPY5RCDK2CCNA2CCNA1KMT2A
SCHEMBL6388838 0.93 CCNA2 (0.55) NPY5RCDK2CCNA2CCNA1KMT2A
SCHEMBL6388842 0.93 CCNA2 (0.55) NPY5RCDK2CCNA2CCNA1KMT2A
SCHEMBL6389857 0.91 CCNA2 (0.52) NPY5RCDK2CCNA2CCNA1KMT2A
SCHEMBL6389855 0.91 CCNA2 (0.52) NPY5RCDK2CCNA2CCNA1KMT2A
SCHEMBL6385331 0.89 CCNA2 (0.49) NPY5RCDK2CCNA2CCNA1KMT2A
SCHEMBL6385334 0.89 CCNA2 (0.49) NPY5RCDK2CCNA2CCNA1KMT2A
SCHEMBL6387001 0.86 ALDH1A1 (0.53) NPY5RCDK2CCNA2CCNA1KMT2A
SCHEMBL6387004 0.86 ALDH1A1 (0.53) NPY5RCDK2CCNA2CCNA1KMT2A
SCHEMBL5867539 0.86 CCNA2 (0.66) NPY5RCDK2CCNA2CCNA1KMT2A

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 NPY5R 2899/4885CDK2 7/4885CCNA2 482/4885
US-20020103185-A1 Pyrazole derivatives CDK1, CDK5, CDK3 NPY5R 2776/4885CDK2 5/4885CCNA2 558/4885

“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.