SCHEMBL15087585

SCHEMBL15087585

Cc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.58
KCNH2 Q12809 1/20 0.58
PDE5A O76074 8/20 0.55
GUCY1A1 Q02108 10/20 0.49
GUCY1B1 Q02153 10/20 0.49

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
SCHEMBL417331 0.94 ADORA3 (0.60) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL29382996 0.94 ADORA3 (0.60) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL174678 0.86 ADORA3 (0.65) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL10252555 0.85 ADORA3 (0.62) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL15745639 0.84 ADORA3 (0.65) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL29154434 0.82 ADORA3 (0.68) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL174847 0.82 ADORA3 (0.67) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
Hydrochloric Acid SCHEMBL1930775 0.81 ADORA3 (0.66) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
Hydrochloric Acid SCHEMBL18496411 0.81 ADORA3 (0.66) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL255832 0.81 ADORA3 (0.57) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1

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
US-20230381153-A1 TREATMENT OF CNS DISEASES WITH sGC STIMULATORS TISENTO THERAPEUTICS INC. 2023-11-30 US disclosed
US-11690828-B2 Treatment of CNS diseases with sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-11684621-B2 Combination containing sGC stimulators and mineralocorticoid receptor antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-06-27 US disclosed
EP-2897953-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2019-05-08 EP disclosed
EP-2588465-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2017-01-25 EP disclosed
EP-3112363-A1 2-[1-[(2-FLUOROPHENYL)METHYL]-5-(3-ISOXAZOLYL)-1H-PYRAZOL-3-YL]-PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS AS SOLUBLE GUANYLATE CYCLASE (SGC) STIMULATORS FOR THE TREATMENT OF PULMONARY HYPERTENSION Ironwood Pharmaceuticals, Inc. (US) 2017-01-04 EP disclosed
EP-2797915-B1 2-benzyl-3-(oxazole/thiazole)-5-(pyrimidin-2-yl)-1(H)-pyrazole derivatives as stimulators of the soluble guanylate cyclase (sGC) for the treatment of e.g. hypertension or heart failure IRONWOOD PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
WO-2014047111-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 WO disclosed
WO-2014047325-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 WO disclosed
WO-2013101830-A1 2 - BENZYL, 3 - (PYRIMIDIN- 2 -YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2013-07-04 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 (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-11690828-B2 Treatment of CNS diseases with sGC stimulators GUCY1A2, GUCY1B2, PDE2A ADORA3 1070/4885KCNH2 2953/4885PDE5A 11/4885
US-20230381153-A1 TREATMENT OF CNS DISEASES WITH sGC STIMULATORS GUCY1A2, GUCY1B2, PDE2A ADORA3 1070/4885KCNH2 2953/4885PDE5A 11/4885
US-11684621-B2 Combination containing sGC stimulators and mineralocorticoid receptor antagonists NR3C2, GUCY1A1, GUCY1A2 ADORA3 785/4885KCNH2 1495/4885PDE5A 22/4885

“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.