SCHEMBL3128339

SCHEMBL3128339

CNc1nccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)n1.CS(=O)(=O)O

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
MKNK1 Q9BUB5 6/20 0.38
MKNK2 Q9HBH9 6/20 0.38
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MAPK8 P45983 5/20 0.36
MAPK9 P45984 3/20 0.36
MAPK10 P53779 3/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL3130704 0.94 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL3130715 0.90 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL3131784 0.88 MKNK1 (0.46) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL3137469 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL3133595 0.86 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL3131813 0.85 MKNK1 (0.39) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL3140815 0.83 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL3137715 0.83 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4543782 0.82 MKNK1 (0.38) MKNK1MKNK2CDK1CDK2
SCHEMBL27630786 0.81 MKNK1 (0.44) MKNK1MKNK2ADORA3ADORA2AADORA1

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-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-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

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-20070093510-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE3A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885

“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.