SCHEMBL13435345

SCHEMBL13435345

CNc1c(C)[nH]c(=O)n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.38
ADORA2A P29274 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 1/20 0.36
APAF1 O14727 1/20 0.36
CASP6 P55212 1/20 0.36
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL27709146 0.78 ALDH1A1 (0.37) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL8404518 0.73 ADORA2B (0.41) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL25979886 0.70 MEN1 (0.42) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL20485672 0.70 CSNK2A2 (0.45) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL16480072 0.67
SCHEMBL18119894 0.67 KDM4E (0.38) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL9215563 0.67 KDM4E (0.41) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL9412532 0.65 KDM4E (0.51) ALDH1A1LMNAMAPTKDM4EGLA
SCHEMBL2272851 0.65 ALDH1A1 (0.39) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL13435346 0.65 KMT2A (0.38) ADORA2BADORA2ALMNATSHRADORA3

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
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-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-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-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-7169787-B2 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same ELBION AG (DE) 2007-01-30 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 (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-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE7A ADORA2B 1219/4885ADORA2A 471/4885ALDH1A1 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.