SCHEMBL4525142

SCHEMBL4525142

COc1nc(C(F)(F)F)nc2nc[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.51
POLA1 P09884 1/20 0.41
CDK1 P06493 13/20 0.41
CCNB1 P14635 13/20 0.41
CDK2 P24941 12/20 0.41
CCNA2 P20248 11/20 0.41
CCNA1 P78396 11/20 0.41
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PIN1 Q13526 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
MGMT P16455 2/20 0.38
CCNB2 O95067 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36

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
SCHEMBL4534389 0.78 CDK2 (0.40) PDPK1CDK1CCNB1CDK2CCNA2
SCHEMBL30677864 0.76 PDPK1 (0.58) PDPK1POLA1CDK1CCNB1CDK2
SCHEMBL3137199 0.75 DPP4 (0.56) PDPK1POLA1CDK2CTSSCTSK
SCHEMBL1233712 0.75 PDPK1 (0.59) PDPK1POLA1CDK1CCNB1CDK2
Methylguanine SCHEMBL29903462 0.75 CDK1 (0.69) PDPK1CDK1CCNB1CDK2CCNA2
SCHEMBL9503859 0.75 PDPK1 (0.56) PDPK1POLA1CDK1CCNB1CDK2
SCHEMBL1443987 0.75 PDPK1 (0.56) PDPK1POLA1CDK1CCNB1CDK2
Methylguanine SCHEMBL231097 0.75 CDK1 (0.69) PDPK1CDK1CCNB1CDK2CCNA2
SCHEMBL3136203 0.75 CDK2 (0.40) PDPK1CDK2CTSSCTSK
SCHEMBL3137133 0.74 XDH (0.59) CDK1CCNB1CDK2CCNA2CCNA1

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 PDPK1 538/4885POLA1 1154/4885CDK1 775/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B PDPK1 320/4885POLA1 610/4885CDK1 772/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A PDPK1 538/4885POLA1 1154/4885CDK1 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.