SCHEMBL4533048

SCHEMBL4533048

CC(=O)c1cccc(-c2cc(Cn3cccn3)cc3sc(N)nc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PRKACA P17612 2/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
DHFR P00374 2/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
GRK6 P43250 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL2927704 0.82 PRKACA (0.41) HTTTSHRKMT2AMEN1HDAC1
SCHEMBL2944454 0.82 PRKACA (0.37) HTTTSHRKMT2AMEN1HDAC1
SCHEMBL2948666 0.81 PDE4B (0.43) TSHRKMT2AMEN1NPC1ALDH1A1
SCHEMBL2940575 0.76 ADORA1 (0.39) HTTKMT2AMEN1ALOX15HSD17B10
SCHEMBL7081468 0.70 HTT (0.60) HTTTSHRKMT2AMEN1HDAC1
SCHEMBL16089779 0.68 PKM (0.45) TSHRKMT2AMEN1NPC1ALDH1A1
SCHEMBL17221212 0.67 HDAC1 (0.68) HTTTSHRKMT2AMEN1HDAC1
SCHEMBL799211 0.66 PIK3CA (0.64) DHFR
SCHEMBL13846419 0.66 PDE4A (0.47)
SCHEMBL4846229 0.65 PDPK1 (0.49) ALDH1A1LMNAMAPTSMN1; SMN2LIMK1

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 5 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
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 HTT 4596/4885TSHR 3618/4885KMT2A 2368/4885
US-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4B, PDE4A, PDE3B HTT 4025/4885TSHR 3582/4885KMT2A 1638/4885
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A HTT 4596/4885TSHR 3618/4885KMT2A 2368/4885
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A HTT 4596/4885TSHR 3618/4885KMT2A 2368/4885

“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.