SCHEMBL4525138

SCHEMBL4525138

COc1nc(C(F)(F)F)nc2[nH]cnc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDPK1 O15530 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PARP1 P09874 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE4B Q07343 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
AURKA O14965 1/20 0.30
KDR P35968 1/20 0.30
AURKB Q96GD4 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
SCHEMBL19978884 0.78 PDPK1 (0.36) PDPK1CYP1A2CYP2C19
SCHEMBL4534386 0.78 PARP1 (0.35) PDPK1PARP1PDE4BPDE4APDE4C
SCHEMBL3255130 0.75 PDE4A (0.51) PDPK1PARP1PDE4BPDE4APDE4C
SCHEMBL22700363 0.75 MEN1 (0.37) PDPK1CYP1A2CYP2C19
Methylguanine SCHEMBL1336757 0.75 CDK1 (0.41) PDPK1
SCHEMBL31380770 0.75 XDH (0.37) SMN1; SMN2PDPK1CYP1A2CYP2C19
SCHEMBL1443986 0.75 XDH (0.37) SMN1; SMN2PDPK1CYP1A2CYP2C19
SCHEMBL9503831 0.75 PDPK1 (0.36) PDPK1CYP1A2CYP2C19
SCHEMBL3137194 0.75 PARP1 (0.32) PARP1PDE4BPDE4APDE4CPDE4D
SCHEMBL1233710 0.75 PDE4A (0.38) PDPK1PARP1PDE4BPDE4APDE4C

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 HPGD 359/4885SMN1; SMN2 2644/4885L3MBTL1 3562/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B HPGD 425/4885SMN1; SMN2 2237/4885L3MBTL1 3234/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A HPGD 359/4885SMN1; SMN2 2644/4885L3MBTL1 3562/4885

“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.