SCHEMBL3595975

SCHEMBL3595975

O=C(Cl)C(=O)c1c[nH]c2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.63
CNR2 P34972 1/20 0.54
ADORA2A P29274 1/20 0.49
KMT2A Q03164 1/20 0.49
AXL P30530 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CAMKK2 Q96RR4 2/20 0.48
GPR84 Q9NQS5 1/20 0.47
CCNE1 P24864 4/20 0.46
CDK2 P24941 4/20 0.46
KIF20A O95235 1/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CDK5 Q00535 1/20 0.46
DYRK1A Q13627 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46

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
SCHEMBL29443820 0.87 MAP2K1 (0.67) MAP2K1CNR2ADORA2AKMT2AAXL
SCHEMBL3608096 0.87 MAP2K1 (0.67) MAP2K1CNR2ADORA2AKMT2AAXL
SCHEMBL1474975 0.85 MAP2K1 (0.65) MAP2K1CNR2ADORA2AKMT2AAXL
Hydrochloric Acid SCHEMBL23727982 0.85 MAP2K1 (0.65) MAP2K1CNR2ADORA2AKMT2AAXL
SCHEMBL13325426 0.84 MAP2K1 (0.68) MAP2K1CNR2ADORA2AKMT2AAXL
Potassium Ion SCHEMBL29688228 0.84 MAP2K1 (0.63) MAP2K1CNR2ADORA2AKMT2AAXL
Hydrochloric Acid SCHEMBL3595977 0.84 MAP2K1 (0.63) MAP2K1CNR2ADORA2AKMT2AAXL
Potassium Ion SCHEMBL2688784 0.84 MAP2K1 (0.63) MAP2K1CNR2ADORA2AKMT2AAXL
SCHEMBL1867330 0.84 MAP2K1 (0.63) MAP2K1CNR2ADORA2AKMT2AAXL
SCHEMBL985214 0.83 MAP2K1 (0.71) MAP2K1CNR2ADORA2AKMT2AAXL

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169787-B2 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same ELBION AG (DE) 2007-01-30 US claimed
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 claimed
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 claimed
EP-1330455-A1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME Elbion AG (DE) 2003-07-30 EP claimed
WO-2002034747-A1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2002-05-02 WO claimed
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
EP-1330455-A1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME Elbion AG (DE) 2003-07-30 EP disclosed
WO-2002034747-A1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2002-05-02 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 (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 MAP2K1 2469/4885CNR2 2555/4885ADORA2A 518/4885
US-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE3A MAP2K1 2712/4885CNR2 3086/4885ADORA2A 541/4885
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE7A MAP2K1 2198/4885CNR2 2944/4885ADORA2A 471/4885

“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.