SCHEMBL6950187

SCHEMBL6950187

COc1ccc(C(=O)Nc2ncc(Cl)cc2Cl)c2c1nc(C(C)=NO)n2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.58
PDE4B Q07343 11/20 0.58
PDE4C Q08493 11/20 0.58
PDE4D Q08499 11/20 0.58
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NR4A1 P22736 1/20 0.37
PDE11A Q9HCR9 1/20 0.37

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
SCHEMBL8311657 0.82 MAPT (0.49) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6957705 0.74 PDE4D (1.00) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL4698806 0.72 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6955772 0.69 PDE4B (0.69) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6950213 0.69 PDE4D (0.68) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL6952314 0.67 PDE4D (0.65) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL6957343 0.67 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5016484 0.66 NPC1 (0.56) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL1553763 0.66 PDE4D (0.75) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL5022909 0.65 KMT2A (0.55) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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
EP-0944616-B1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-06-04 EP claimed
EP-0944616-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-09-29 EP claimed
WO-1998022460-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1998-05-28 WO claimed
EP-0944616-B1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-06-04 EP disclosed
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use DYKE HAZEL JOAN (GB) 2002-07-18 US disclosed
US-6353010-B1 ENZYME INHIBITORS TUMOR NECROSIS FACTOR AND PHOSPHODIESTERASE FOR ANTIINFLAMMATORY AGENTS DARWIN DISCOVERY, LTD. (GB) 2002-03-05 US disclosed
EP-0944616-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-09-29 EP disclosed
WO-1998022460-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1998-05-28 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 (1 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-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use PDE3B, PDE3A, PDE2A PDE4A 9/4885PDE4B 12/4885PDE4C 16/4885

“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.