SCHEMBL8078112

SCHEMBL8078112

Nc1nc2c(-c3cccc([N+](=O)[O-])c3)cc(Cn3ccnc3)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.47
PDE4B Q07343 2/20 0.47
PDE4A P27815 2/20 0.45
CYP11B1 P15538 7/20 0.42
CYP17A1 P05093 1/20 0.42
CYP21A2 P08686 1/20 0.42
CYP11B2 P19099 6/20 0.42
POLB P06746 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
PKM P14618 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TBXAS1 P24557 1/20 0.41
ADORA1 P30542 1/20 0.40

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
Hydrochloric Acid SCHEMBL2945457 0.99 CYP19A1 (0.47) CYP19A1PDE4BPDE4ACYP11B1CYP17A1
SCHEMBL16089779 0.89 PKM (0.45) PDE4BPDE4AMGAMGAASI
SCHEMBL2948666 0.84 PDE4B (0.43) PDE4BPDE4AMGAMGAASI
SCHEMBL13846419 0.81 PDE4A (0.47) CYP19A1PDE4ACYP11B1CYP17A1CYP11B2
SCHEMBL4526575 0.81 AGTR2 (0.46) CYP19A1PDE4BPDE4ACYP11B1CYP17A1
SCHEMBL2919358 0.77 PDE4A (0.52) PDE4BPDE4AMGAMGAASI
SCHEMBL2660114 0.74 CYP19A1 (0.69) CYP19A1CYP11B1CYP11B2POLBTBXAS1
SCHEMBL2917267 0.72 MYC (0.54) PDE4BPDE4AMGAMGAASI
SCHEMBL7440005 0.71 PDE4A (0.69) PDE4BPDE4APKM
SCHEMBL2914411 0.71 PDE4A (0.45) PDE4BPDE4APOLBMGAMGAA

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 4 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-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 (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-20090130076-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A CYP19A1 1322/4885PDE4B 2/4885PDE4A 3/4885
US-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4B, PDE4A, PDE3B CYP19A1 629/4885PDE4B 1/4885PDE4A 2/4885
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A CYP19A1 1322/4885PDE4B 2/4885PDE4A 3/4885

“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.