SCHEMBL20140289

SCHEMBL20140289

NNC(=O)c1nn(Cc2cccc(F)c2F)c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
KCNH2 Q12809 1/20 0.45
AURKA O14965 1/20 0.43
PDPK1 O15530 1/20 0.43
RPS6KB1 P23443 1/20 0.43
HTR3A P46098 1/20 0.42
ATM Q13315 1/20 0.42
CFD P00746 1/20 0.42
PDE5A O76074 7/20 0.42
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GUCY1A1 Q02108 3/20 0.39
GUCY1B1 Q02153 3/20 0.39
MAPT P10636 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
SCHEMBL2878097 0.91 ADORA3 (0.53) ADORA3KCNH2HTR3AATMPDE5A
SCHEMBL6068600 0.89 CFD (0.49) ADORA3KCNH2AURKAPDPK1RPS6KB1
SCHEMBL326724 0.88 ADORA3 (0.41) ADORA3KCNH2AURKAPDPK1RPS6KB1
SCHEMBL6223849 0.84 ADORA3 (0.42) ADORA3KCNH2AURKAPDPK1RPS6KB1
Hydrochloric Acid SCHEMBL6068508 0.83 ADORA3 (0.42) ADORA3KCNH2AURKAPDPK1RPS6KB1
Acetic Acid SCHEMBL16245022 0.83 ADORA3 (0.45) ADORA3KCNH2AURKAPDPK1RPS6KB1
SCHEMBL2878454 0.82 PDE5A (0.40) ADORA3KCNH2AURKAPDPK1RPS6KB1
SCHEMBL2878455 0.82 PDE5A (0.40) ADORA3KCNH2AURKAPDPK1RPS6KB1
SCHEMBL8221670 0.82 PDE5A (0.40) ADORA3KCNH2AURKAPDPK1RPS6KB1
SCHEMBL2878457 0.82 L3MBTL1 (0.39) ADORA3KCNH2AURKAPDPK1RPS6KB1

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 6 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-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
EP-3538520-A2 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2019-09-18 EP 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 ADORA3 1006/4885KCNH2 3135/4885AURKA 4737/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A ADORA3 1072/4885KCNH2 3222/4885AURKA 4738/4885
US-12435080-B2 sGC stimulators GUCY1A2, PRKG1, PDE2A ADORA3 1072/4885KCNH2 3222/4885AURKA 4738/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A ADORA3 1006/4885KCNH2 3135/4885AURKA 4737/4885

“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.