SCHEMBL3583771

SCHEMBL3583771

COc1ccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.46
GRM1 Q13255 3/20 0.43
PDGFRA P16234 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK1 P06493 2/20 0.38
ULK1 O75385 2/20 0.38
ULK2 Q8IYT8 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
TLR7 Q9NYK1 1/20 0.37
GRM5 P41594 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
IRAK4 Q9NWZ3 2/20 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
SCHEMBL3142223 0.92 CRHR1 (0.44) CRHR1GRM1PDGFRACCNE1CDK2
SCHEMBL3137779 0.87 TLR7 (0.44) PDGFRACCNE1CDK2CDK1ULK1
SCHEMBL3142283 0.85 GRM1 (0.48) CRHR1GRM1PDE4APDE4BPDE4C
SCHEMBL3145548 0.85 PDE4A (0.41) CRHR1GRM1PDGFRACCNE1CDK2
SCHEMBL3146233 0.84 XDH (0.46) CCNE1CDK2CDK1PDE4APDE4B
SCHEMBL3145936 0.84 YTHDC1 (0.41) CRHR1GRM1PDGFRACCNE1CDK2
SCHEMBL3136277 0.82 ULK1 (0.46) GRM1ULK1ULK2PDE4APDE4B
SCHEMBL3140390 0.80 TLR7 (0.43) CDK2CDK1PDE4APDE4BPDE4C
SCHEMBL27631003 0.80 ULK1 (0.39) CRHR1GRM1PDGFRACCNE1CDK2
SCHEMBL27611653 0.79 PDE4A (0.41) CRHR1GRM1ULK1ULK2PDE4A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2010-01-14 US claimed
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2008-05-22 US claimed
US-7342021-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-03-11 US claimed
US-20040242598-A1 Phosphodiesterase 4 inhibitors LIU RUIPING (US) 2004-12-02 US claimed
EP-1383767-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2004-01-28 EP claimed
US-20030045533-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-03-06 US claimed
WO-2002098878-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2002-12-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B CRHR1 1804/4885GRM1 2495/4885PDGFRA 987/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B CRHR1 1804/4885GRM1 2495/4885PDGFRA 987/4885
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CRHR1 1893/4885GRM1 3482/4885PDGFRA 597/4885
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CRHR1 1893/4885GRM1 3482/4885PDGFRA 597/4885

“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.