SCHEMBL3536746

SCHEMBL3536746

COc1cccc(Cn2cc(C(=O)C(=O)Cl)c3cccnc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ THRB P10828 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.49
▸ KAT2B Q92831 1/20 0.47
▸ ENPP2 Q13822 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ADRA1D P25100 1/20 0.46
▸ LIPG Q9Y5X9 1/20 0.46
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ TP53 P04637 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PPARG P37231 2/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ SERPINE1 P05121 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
Hydrochloric Acid SCHEMBL3536750 0.90 MAPT (0.50) MAPTTHRBALDH1A1KAT2BENPP2
SCHEMBL3540324 0.83 PDE4A (0.71) MAPTTHRBALDH1A1KAT2BENPP2
SCHEMBL9278001 0.79 PDE4A (0.66) MAPTTHRBALDH1A1KAT2BPDE4A
SCHEMBL3925788 0.73 MAPT (0.63) MAPTALDH1A1ADRA1DPDE4APDE4B
SCHEMBL6223444 0.73 PDE4A (0.44) MAPTTHRBALDH1A1KAT2BENPP2
SCHEMBL5559271 0.72 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL3537897 0.70 LPO (0.55) MAPTTHRBALDH1A1KAT2BKMT2A
Propionic Acid SCHEMBL1100914 0.70 PTGER4 (0.51) MAPTTHRBALDH1A1KAT2BENPP2
SCHEMBL5559147 0.70 PDE4A (0.66) MAPTALDH1A1KAT2BKMT2APDE4A
SCHEMBL5557942 0.69 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DRXFP1

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-7683074-B2 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2010-03-23 — — US disclosed
US-7419987-B2 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them ELBION AG (DE) 2008-09-02 — — US disclosed
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2008-08-28 — — US disclosed
US-7169787-B2 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same ELBION AG (DE) 2007-01-30 — — US disclosed
US-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2006-11-16 — — US disclosed
US-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same BIOTIE THERAPIES GMBH (DE) 2004-06-03 — — US 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-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same PDE4A, PDE4B, PDE4C MAPT 4596/4885THRB 3960/4885ALDH1A1 878/4885
US-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE3A MAPT 4493/4885THRB 4207/4885ALDH1A1 706/4885
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE7A MAPT 4586/4885THRB 4166/4885ALDH1A1 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.

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