SCHEMBL4528503

SCHEMBL4528503

CCCCc1nc(C(F)(F)F)nc2nc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.45
ADORA2A P29274 5/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
CDK1 P06493 3/20 0.42
CCNB1 P14635 3/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
PIN1 Q13526 1/20 0.42
POLA1 P09884 5/20 0.40
XDH P47989 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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 0.91 ADORA3 (0.39) ADORA3ADORA2AADORA2BADORA1CDK1
SCHEMBL4532007 0.85 CDK2 (0.42) ADORA3ADORA2AADORA2BADORA1CDK1
SCHEMBL6473887 0.83 ADORA3 (0.35) ADORA3ADORA2AADORA2BADORA1CDK1
SCHEMBL4528498 0.77 HRH3 (0.35) ADORA3ADORA2AADORA2BADORA1POLA1
SCHEMBL4566338 0.75 CDK2 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL4534389 0.73 CDK2 (0.40) ADORA3ADORA2AADORA1CDK1CCNB1
SCHEMBL3141427 0.72 ADORA3 (0.46) ADORA3CDK1CCNB1CCNA2CDK2
SCHEMBL7073449 0.72 HTT (0.56) ADORA3ADORA2ACDK2XDHCYP1A2
SCHEMBL22402410 0.71 CDK2 (0.38) ADORA3ADORA2ACDK1CCNB1CCNA2
SCHEMBL1233712 0.70 PDPK1 (0.59) CDK1CCNB1CCNA2CDK2CCNA1

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 ADORA3 1283/4885ADORA2A 1503/4885ADORA2B 1523/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B ADORA3 1335/4885ADORA2A 1619/4885ADORA2B 1759/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A ADORA3 1283/4885ADORA2A 1503/4885ADORA2B 1523/4885

“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.