SCHEMBL16089779

SCHEMBL16089779

Nc1nc2c(-c3cccc([N+](=O)[O-])c3)cc(Cn3cccc3)cc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
ADORA1 P30542 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
MYC P01106 1/20 0.43
WDR5 P61964 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP3 P42574 1/20 0.39

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
SCHEMBL8078112 0.89 CYP19A1 (0.47) PKMMGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL2945457 0.88 CYP19A1 (0.47) PKMMGAMGAASIMGAM2
SCHEMBL2948666 0.88 PDE4B (0.43) PKMMGAMGAASIMGAM2
SCHEMBL2919358 0.80 PDE4A (0.52) PKMMGAMGAASIMGAM2
SCHEMBL7440005 0.79 PDE4A (0.69) PKMPDE4APDE4BNPC1RAB9A
Hydrochloric Acid SCHEMBL7440541 0.78 PDE4A (0.67) PKMPDE4APDE4BNPC1RAB9A
SCHEMBL2917267 0.76 MYC (0.54) PKMMGAMGAASIMGAM2
SCHEMBL2914411 0.74 PDE4A (0.45) PKMMGAMGAASIMGAM2
SCHEMBL4754495 0.70 TSHR (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL2927704 0.69 PRKACA (0.41) GAAALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2014-09-18 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-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A PKM 566/4885MGAM 4628/4885GAA 2071/4885

“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.