SCHEMBL3130331

SCHEMBL3130331

FC(F)(F)c1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 3/20 0.56
PDE4A P27815 4/20 0.50
PDE4B Q07343 4/20 0.50
PDE4C Q08493 4/20 0.50
PDE4D Q08499 4/20 0.50
PDE5A O76074 1/20 0.50
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE1C Q14123 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
CDK1 P06493 4/20 0.43
FLT3 P36888 1/20 0.42
PDGFRA P16234 2/20 0.41
CCNE1 P24864 2/20 0.41

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
SCHEMBL3142237 0.93 YTHDC1 (0.53) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3141459 0.91 YTHDC1 (0.56) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3133601 0.91 YTHDC1 (0.56) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3128053 0.91 YTHDC1 (0.61) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3141176 0.90 YTHDC1 (0.55) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3133681 0.90 PDE4A (0.63) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3131886 0.89 YTHDC1 (0.61) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3142282 0.89 YTHDC1 (0.58) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3131818 0.89 YTHDC1 (0.56) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3127089 0.88 YTHDC1 (0.58) YTHDC1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2010-01-14 US disclosed
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2010-01-07 US disclosed
EP-1529049-B1 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2009-11-18 EP disclosed
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2008-06-12 US disclosed
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2008-05-22 US disclosed
US-7342021-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-03-11 US disclosed
US-7332486-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-02-19 US disclosed
US-20070093510-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-04-26 US disclosed
CN-1688580-A 2-Trifluoromethyl-6-aminopurine derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2005-10-26 CN disclosed
US-20040242598-A1 Phosphodiesterase 4 inhibitors LIU RUIPING (US) 2004-12-02 US disclosed
EP-1383767-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2004-01-28 EP disclosed
US-20030045533-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-03-06 US disclosed
WO-2002098878-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2002-12-12 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 (7 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-20070093510-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE3A YTHDC1 3986/4885PDE4A 1/4885PDE4B 5/4885
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A YTHDC1 3986/4885PDE4A 1/4885PDE4B 5/4885
US-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B YTHDC1 3888/4885PDE4A 1/4885PDE4B 5/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A YTHDC1 3986/4885PDE4A 1/4885PDE4B 5/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B YTHDC1 3888/4885PDE4A 1/4885PDE4B 5/4885
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A YTHDC1 3986/4885PDE4A 1/4885PDE4B 5/4885
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A YTHDC1 3986/4885PDE4A 1/4885PDE4B 5/4885

“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.