SCHEMBL1701632

SCHEMBL1701632

O=[N+]([O-])c1ccc(C2CNc3nc4ccccc4n32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NOD1 Q9Y239 1/20 0.42
IDH1 O75874 2/20 0.41
CXCR3 P49682 3/20 0.40
CTSD P07339 1/20 0.40
HTT P42858 1/20 0.39
ADORA2A P29274 1/20 0.39
CFTR P13569 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL9981018 0.71 HRH1 (0.38) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL832244 0.70 FGFR1 (0.40) SMN1; SMN2LMNAALDH1A1MAPTCYP1A2
SCHEMBL9980961 0.70 PDE10A (0.38) LMNAALDH1A1
SCHEMBL31267525 0.66 ALDH1A1 (0.60) SMN1; SMN2LMNAALDH1A1PKMRAB9A
SCHEMBL23727945 0.63 LMNA (0.42) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL18596340 0.63 SLC18A3 (0.43) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL1984298 0.62 ALDH1A1 (0.51) SMN1; SMN2LMNAALDH1A1MAPTCYP2C9
SCHEMBL10188071 0.62 MAPT (0.54) SMN1; SMN2LMNAALDH1A1PKMRAB9A
SCHEMBL2247368 0.62 ALDH1A1 (1.00) SMN1; SMN2LMNAALDH1A1PKMRAB9A
SCHEMBL1701631 0.61 NOD1 (0.47) SMN1; SMN2ALDH1A1PKMRAB9ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US disclosed
US-8846713-B2 Fused heterocyclic compounds as phosphodiesterases (PDEs) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-30 US disclosed
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-11-14 US disclosed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US disclosed
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 WO disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 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-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A SMN1; SMN2 3762/4885LMNA 3934/4885ALDH1A1 166/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A SMN1; SMN2 2125/4885LMNA 4423/4885ALDH1A1 135/4885
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A SMN1; SMN2 2125/4885LMNA 4423/4885ALDH1A1 135/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A SMN1; SMN2 3762/4885LMNA 3934/4885ALDH1A1 166/4885

“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.