SCHEMBL3537897

SCHEMBL3537897

COc1cccc(Cn2ccc3cccnc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPO P22079 3/20 0.55
MAPT P10636 2/20 0.51
THRB P10828 1/20 0.51
TP53 P04637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.50
KAT2B Q92831 1/20 0.48
PTGER4 P35408 1/20 0.47
PTGER2 P43116 1/20 0.47
YTHDC1 Q96MU7 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CMA1 P23946 1/20 0.47
SLC2A1 P11166 1/20 0.47
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45

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
Propionic Acid SCHEMBL1100914 0.91 PTGER4 (0.51) LPOMAPTTHRBTP53ALDH1A1
SCHEMBL1362776 0.89 MTNR1A (0.44) LPOMAPTTHRB
SCHEMBL28251110 0.85 LMNA (0.47) MAPTTHRBTP53KDM4ELMNA
SCHEMBL30828413 0.82 ATM (0.57) MAPTTP53ALDH1A1KDM4EGAA
SCHEMBL38652459 0.80 HTT (0.56) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL38652180 0.80 KDM4E (0.56) MAPTALDH1A1KDM4ESLC2A1CYP1A2
SCHEMBL1104760 0.80 KDM4E (0.56) MAPTALDH1A1KDM4ESLC2A1CYP1A2
SCHEMBL6087249 0.79 KMT2A (0.63) LPOMAPTTP53ALDH1A1KDM4E
SCHEMBL30218812 0.79 KMT2A (0.63) LPOMAPTTP53ALDH1A1KDM4E
SCHEMBL38652062 0.78 KMT2A (0.49) TP53KDM4ELMNACYP1A2CYP3A4

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 7 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
EP-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 EP 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 LPO 2248/4885MAPT 4596/4885THRB 3960/4885
US-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE3A LPO 2247/4885MAPT 4493/4885THRB 4207/4885
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE7A LPO 2341/4885MAPT 4586/4885THRB 4166/4885

“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.