SCHEMBL174998

SCHEMBL174998

Fc1ccccc1Cn1nc(I)c2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
PDE5A O76074 14/20 0.50
ADORA3 P0DMS8 1/20 0.47
KCNH2 Q12809 1/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL327073 0.89 PDE5A (0.44) MAPTPDE5AADORA3KCNH2L3MBTL1
SCHEMBL327415 0.85 MAPT (0.42) MAPTPDE5AL3MBTL1
SCHEMBL6762762 0.83 MAPT (0.50) MAPTPDE5AADORA3KCNH2ATM
SCHEMBL6865363 0.83 MAPT (0.50) MAPTPDE5AADORA3KCNH2ATM
SCHEMBL19152217 0.83 L3MBTL1 (0.66) MAPTPDE5AADORA3KCNH2ATM
SCHEMBL18496415 0.82 PDE5A (0.59) PDE5AADORA3KCNH2
SCHEMBL20139798 0.82 MEN1 (0.42) MAPTPDE5AL3MBTL1
SCHEMBL15169360 0.81 PDE5A (0.52) MAPTPDE5A
SCHEMBL174461 0.81 PDE5A (0.52) PDE5A
SCHEMBL19126778 0.81 ADORA3 (0.50) MAPTPDE5AADORA3KCNH2ATM

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2017121700-A1 1,3-DISUBSTITUTED 1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AND USE THEREOF AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-20 WO disclosed
WO-2017121700-A1 1,3-DISUBSTITUTED 1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AND USE THEREOF AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-20 WO disclosed
EP-2611802-B1 BICYCLIC AZA-HETEROCYCLES AND THEIR USE BAYER IP GMBH (DE) 2016-02-24 EP disclosed
EP-2611802-B1 BICYCLIC AZA-HETEROCYCLES AND THEIR USE BAYER IP GMBH (DE) 2016-02-24 EP disclosed
US-20140309425-A1 METHOD FOR SYNTHESIZING 1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-3-FORMAMIDINE HYDROCHLORIDE PHARMABLOCK (NANJING) R&D CO., LTD. (CN) 2014-10-16 US disclosed
US-20140309425-A1 METHOD FOR SYNTHESIZING 1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-3-FORMAMIDINE HYDROCHLORIDE PHARMABLOCK (NANJING) R&D CO., LTD. (CN) 2014-10-16 US disclosed
US-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-29 US disclosed
US-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-29 US disclosed
EP-2611802-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
WO-2012028647-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 WO disclosed
WO-2012028647-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 WO disclosed
WO-2012010576-A1 CARBAMATE-SUBSTITUTED DIAMINOPYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 WO disclosed
WO-2012010578-A1 SUBSTITUTED METHYL-PYRIMIDIN-5-YL CARBAMATES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 WO disclosed
WO-2012010577-A1 SUBSTITUTED OXAZOLIDINONES AND OXAZINANONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 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 (5 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 MAPT 4780/4885PDE5A 12/4885ADORA3 1006/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A MAPT 4786/4885PDE5A 12/4885ADORA3 1072/4885
US-20140309425-A1 METHOD FOR SYNTHESIZING 1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-3-FORMAMIDINE HYDROCHLORIDE RIOK2, RIOK1, RIOK3 MAPT 3989/4885PDE5A 296/4885ADORA3 1808/4885
US-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF AADAC, PAICS, TPMT MAPT 4869/4885PDE5A 152/4885ADORA3 814/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A MAPT 4780/4885PDE5A 12/4885ADORA3 1006/4885

“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.