SCHEMBL4566338

SCHEMBL4566338

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.40
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
CCNA2 P20248 3/20 0.40
CCNA1 P78396 3/20 0.40
MGMT P16455 2/20 0.40
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
PDPK1 O15530 1/20 0.33
GDA Q9Y2T3 1/20 0.33
HIF1A Q16665 1/20 0.32
DPP4 P27487 1/20 0.31
BRAF P15056 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
PNP P00491 1/20 0.30
PDE2A O00408 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4532007 0.80 CDK2 (0.42) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL4566337 0.79
SCHEMBL4532691 0.78 ADORA3 (0.39) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL10435360 0.77 CDK2 (0.42) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL4528503 0.75 ADORA3 (0.45) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL532653 0.71 HIF1A (0.49) CDK2CDC7DBF4PDPK1HIF1A
SCHEMBL3137199 0.71 DPP4 (0.56) CDK2PDPK1GDADPP4BRAF
SCHEMBL4534389 0.71 CDK2 (0.40) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL1233712 0.71 PDPK1 (0.59) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL3136203 0.71 CDK2 (0.40) CDK2PDPK1GDADPP4BRAF

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 6 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
US-7335654-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-02-26 US 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 853/4885CDK1 775/4885CCNB1 2469/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B CDK2 1035/4885CDK1 772/4885CCNB1 2365/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CDK2 853/4885CDK1 775/4885CCNB1 2469/4885

“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.