SCHEMBL2944454

SCHEMBL2944454

CSc1cccc(-c2cc(Cn3cccn3)cc3sc(N)nc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
GRK6 P43250 1/20 0.34
PIK3CD O00329 3/20 0.33
PIK3CA P42336 3/20 0.33
PIK3CB P42338 3/20 0.33
PI4KA P42356 3/20 0.33
PIK3CG P48736 3/20 0.33
PI4KB Q9UBF8 3/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL4533048 0.82 HTT (0.44) PRKACAPRKACGPRKACBHTTMEN1
SCHEMBL2927704 0.82 PRKACA (0.41) PRKACAPRKACGPRKACBHTTMEN1
SCHEMBL2948666 0.80 PDE4B (0.43) MEN1TSHRKMT2ACA12CA1
SCHEMBL2940575 0.77 ADORA1 (0.39) HTTMEN1KMT2AMAPTNPC1
SCHEMBL16089779 0.67 PKM (0.45) MEN1TSHRKMT2ACA12CA1
SCHEMBL13846419 0.67 PDE4A (0.47)
SCHEMBL8078112 0.64 CYP19A1 (0.47) GAAPDE4B
Hydrochloric Acid SCHEMBL2945457 0.64 CYP19A1 (0.47) GAAPDE4B
SCHEMBL12291851 0.63 HTT (0.46) PRKACAPRKACGPRKACBHTTMEN1
SCHEMBL2920192 0.61 RAB9A (0.40) PDE4BNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883833-B2 Substituted benzoazole PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-11-11 US disclosed
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2014-09-18 US disclosed
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2012-08-16 US disclosed
EP-2225216-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
EP-2225215-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
WO-2009067604-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067618-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
US-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-21 US disclosed
US-20090130076-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-21 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 (4 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-20090130076-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A PRKACA 1279/4885PRKACG 1458/4885PRKACB 1503/4885
US-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4B, PDE4A, PDE3B PRKACA 1457/4885PRKACG 1591/4885PRKACB 1698/4885
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A PRKACA 1279/4885PRKACG 1458/4885PRKACB 1503/4885
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A PRKACA 1279/4885PRKACG 1458/4885PRKACB 1503/4885

“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.