SCHEMBL4523841

SCHEMBL4523841

CN(C)c1nc(C(F)(F)F)nc2nc[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.51
PDPK1 O15530 2/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
CHEK2 O96017 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
PRKACA P17612 1/20 0.51
CCNE1 P24864 1/20 0.51
MARK3 P27448 1/20 0.51
RPS6KA3 P51812 1/20 0.51
PRKCD Q05655 1/20 0.51
LRRK2 Q5S007 1/20 0.51
MARK2 Q7KZI7 1/20 0.51
EGFR P00533 1/20 0.37
CSF1R P07333 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 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) CDK2PDPK1HSP90AB1MAP3K5CTSS
SCHEMBL9705707 0.78 CDK2 (0.56) CDK2PDPK1CHEK1AURKACHEK2
SCHEMBL3136203 0.75 CDK2 (0.40) CDK2PDPK1HSD17B10MAP3K5CTSS
SCHEMBL1233712 0.75 PDPK1 (0.59) CDK2PDPK1LRRK2MAP3K5GDA
SCHEMBL401117 0.75 PDPK1 (0.59) CDK2PDPK1CHEK1AURKACHEK2
SCHEMBL3137199 0.75 DPP4 (0.56) CDK2PDPK1CTSSCTSKGDA
SCHEMBL6747380 0.75 CHEK1 (0.56) CDK2PDPK1CHEK1AURKACHEK2
SCHEMBL3137133 0.74 XDH (0.59) CDK2PDE4APDE4BPDE4CPDE4D
SCHEMBL4523840 0.74 PDE4A (0.41) CDK2PDPK1CHEK1AURKACHEK2
SCHEMBL4525142 0.74 PDPK1 (0.51) CDK2PDPK1CTSSCTSKADORA3

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 853/4885PDPK1 538/4885CHEK1 2601/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B CDK2 1035/4885PDPK1 320/4885CHEK1 2513/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CDK2 853/4885PDPK1 538/4885CHEK1 2601/4885

“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.