SCHEMBL4532007

SCHEMBL4532007

CCc1nc(C(F)(F)F)nc2nc[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.42
NEK2 P51955 1/20 0.42
CDK1 P06493 8/20 0.38
CCNB1 P14635 8/20 0.38
CCNA2 P20248 6/20 0.38
CCNA1 P78396 6/20 0.38
MAP3K5 Q99683 1/20 0.37
PIN1 Q13526 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
PDPK1 O15530 1/20 0.35
GDA Q9Y2T3 1/20 0.35

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
SCHEMBL4532691 0.88 ADORA3 (0.39) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL4528503 0.85 ADORA3 (0.45) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL4566338 0.80 CDK2 (0.40) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL16146634 0.78 CDK2 (0.45) CDK2NEK2CDK1CCNB1CCNA2
SCHEMBL4534389 0.78 CDK2 (0.40) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL6473887 0.78 ADORA3 (0.35) CDK2NEK2CDK1CCNB1CCNA2
SCHEMBL3141427 0.77 ADORA3 (0.46) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL14461781 0.76 CDK2 (0.46) CDK2NEK2CDK1CCNB1CCNA2
SCHEMBL9096950 0.75 CDK2 (0.55) CDK2NEK2CDK1CCNB1CCNA2
SCHEMBL16145906 0.75 CDK2 (0.45) CDK2NEK2CDK1CCNB1CCNA2

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-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2009-12-31 US disclosed
US-20080269260-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2008-10-30 US disclosed
CN-100415747-C Phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-09-03 CN disclosed
US-7335654-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-02-26 US disclosed
CN-1688578-A Phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2005-10-26 CN disclosed
EP-1551837-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-07-13 EP disclosed
US-20040102460-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2004-05-27 US disclosed
WO-2004014911-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-02-19 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 (3 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-20080269260-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CDK2 853/4885NEK2 2700/4885CDK1 775/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B CDK2 1035/4885NEK2 3083/4885CDK1 772/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CDK2 853/4885NEK2 2700/4885CDK1 775/4885

“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.