SCHEMBL20161329

SCHEMBL20161329

N#Cc1nn(Cc2cncnc2)c2cc(Cl)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.39
CYP11B2 P19099 3/20 0.36
CYP11B1 P15538 2/20 0.36
MAOA P21397 1/20 0.36
MAT2A P31153 2/20 0.35
CYP19A1 P11511 1/20 0.35
KMO O15229 1/20 0.34
SLC22A12 Q96S37 2/20 0.32
USP8 P40818 2/20 0.32
USP7 Q93009 2/20 0.32
USP47 Q96K76 1/20 0.32
PIK3CD O00329 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
PMP22 Q01453 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL20140443 0.85 ENPP2 (0.38) ENPP2CYP11B2CYP11B1MAOACYP19A1
SCHEMBL28253344 0.81 ELANE (0.43) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL15117027 0.75 PDE5A (0.50) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL17876771 0.75 TSHR (0.43) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL15112642 0.72 PDE5A (0.52) ENPP2CYP11B2CYP11B1MAOAMAT2A
SCHEMBL18982536 0.72 CTSK (0.41) GRM2
SCHEMBL20534644 0.72 GRIN1 (0.43) CYP11B2PIK3CDCYP3A4GRIN1GRIN2B
SCHEMBL14776630 0.71 PDE5A (0.49) KMO
SCHEMBL20140277 0.70 ELANE (0.46) CYP11B1TSHRKDM4EALDH1A1HTT
SCHEMBL20139770 0.70 PDE5A (0.37) GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435080-B2 sGC stimulators TISENTO THERAPEUTICS INC. (US) 2025-10-07 US disclosed
US-20220017515-A1 sGC STIMULATORS TISENTO THERAPEUTICS INC. 2022-01-20 US disclosed
US-20220017515-A1 sGC STIMULATORS TISENTO THERAPEUTICS INC. 2022-01-20 US disclosed
US-11180493-B2 SGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-11180493-B2 SGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200071318-A1 SGC STIMULATORS TISENTO THERAPEUTICS INC. 2020-03-05 US disclosed
US-20200071318-A1 SGC STIMULATORS TISENTO THERAPEUTICS INC. 2020-03-05 US disclosed
WO-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO 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-20200071318-A1 SGC STIMULATORS GUCY1A2, GMPS, PDE2A ENPP2 443/4885CYP11B2 154/4885CYP11B1 166/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A ENPP2 436/4885CYP11B2 159/4885CYP11B1 175/4885
US-12435080-B2 sGC stimulators GUCY1A2, PRKG1, PDE2A ENPP2 436/4885CYP11B2 159/4885CYP11B1 175/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A ENPP2 443/4885CYP11B2 154/4885CYP11B1 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.