SCHEMBL6950495

SCHEMBL6950495

COc1ccc(Br)c2c1nc(C(F)(F)F)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.50
PDE4A P27815 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
NQO2 P16083 3/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
CASR P41180 5/20 0.34

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
SCHEMBL6953585 0.83 PDE4A (0.40) PDE4BPDE4APDE4CPDE4DNQO2
SCHEMBL6963169 0.78 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6961914 0.77 MAPT (0.40) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6950074 0.73 TLR8 (0.44) PDE4BPDE4APDE4CPDE4DNQO2
SCHEMBL6955141 0.72 PDE4A (0.55) PDE4BPDE4APDE4CPDE4DNQO2
SCHEMBL683182 0.70 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL6019495 0.66 CYP1A2 (0.40) ALDH1A1HPGDKDM4ECYP1A2GLA
SCHEMBL22439440 0.66 PDE4B (0.52) PDE4BNQO2ALDH1A1HPGDKDM4E
SCHEMBL2172029 0.66 CSNK2A1 (0.50) PDE4BPDE4APDE4CPDE4DNQO2
SCHEMBL2172081 0.66 PDE4B (0.52) PDE4BNQO2ALDH1A1HPGDKDM4E

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 5 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 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 PDE4B 12/4885PDE4A 9/4885PDE4C 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.