SCHEMBL10071129

SCHEMBL10071129

N=C(N)c1nn(CCC(F)(F)C(F)(F)F)c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 15/20 0.42
GUCY1B1 Q02153 15/20 0.42
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HTR3A P46098 1/20 0.35
FEN1 P39748 1/20 0.35
ELANE P08246 1/20 0.34
CFD P00746 1/20 0.34

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
Hydrochloric Acid SCHEMBL20140172 0.99 GUCY1A1 (0.41) GUCY1A1GUCY1B1CNR1CNR2HTR3A
Acetic Acid SCHEMBL15065459 0.93 GUCY1A1 (0.46) GUCY1A1GUCY1B1CNR1CNR2HTR3A
SCHEMBL14777070 0.90 CFD (0.38) GUCY1A1GUCY1B1CNR1CNR2HTR3A
SCHEMBL18999259 0.88 CNR1 (0.38) GUCY1A1GUCY1B1CNR1CNR2HTR3A
SCHEMBL13734557 0.87 GUCY1A1 (0.39) GUCY1A1GUCY1B1CNR1CNR2HTR3A
SCHEMBL20161332 0.85 GUCY1A1 (0.39) GUCY1A1GUCY1B1CNR1CNR2HTR3A
SCHEMBL14776861 0.81 GUCY1A1 (0.34) GUCY1A1GUCY1B1
SCHEMBL10071130 0.81 GUCY1A1 (0.39) GUCY1A1GUCY1B1
SCHEMBL13733845 0.80 GUCY1A1 (0.43) GUCY1A1GUCY1B1CNR1CNR2HTR3A
SCHEMBL10070141 0.78 GUCY1A1 (0.40) GUCY1A1GUCY1B1FEN1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458066-B1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC (US) 2023-05-03 EP disclosed
CN-108738320-B cGMP modulators for the treatment of cardiovascular diseases 默沙东公司 2021-11-19 CN disclosed
US-10780092-B2 Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2020-09-22 US disclosed
EP-3394067-B1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-20190307753-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2019-10-10 US disclosed
US-10428076-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2019-10-01 US disclosed
US-10428076-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2019-10-01 US disclosed
EP-3458066-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS Merck Sharp & Dohme Corp. (US) 2019-03-27 EP disclosed
US-20180305366-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2018-10-25 US disclosed
US-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 US disclosed
US-9090610-B2 Fluoroalkyl-substituted pyrazolopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-04 US disclosed
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-04 US disclosed
US-8765769-B2 Ring-fused 4-aminopyrimidines and use thereof as stimulators of soluable guanylate cyclases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-01 US disclosed
US-8765769-B2 Ring-fused 4-aminopyrimidines and use thereof as stimulators of soluable guanylate cyclases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-01 US disclosed
WO-2013104703-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-07-18 WO disclosed
US-20130172372-A1 RING-FUSED 4-AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
US-20130172372-A1 RING-FUSED 4-AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
US-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-03-21 US disclosed
WO-2012004259-A1 RING-FUSED 4 -AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-12 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 (8 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-20130172372-A1 RING-FUSED 4-AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES GUCY1B1, GUCY1A2, GUCY1B2 GUCY1A1 4/4885GUCY1B1 1/4885CNR1 2211/4885
US-20180305366-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A GUCY1A1 1/4885GUCY1B1 4/4885CNR1 445/4885
US-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE2A GUCY1A1 2/4885GUCY1B1 8/4885CNR1 1182/4885
US-20190307753-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS PDE2A, PDE3A, PDE5A GUCY1A1 4/4885GUCY1B1 6/4885CNR1 716/4885
US-10030027-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A GUCY1A1 1/4885GUCY1B1 4/4885CNR1 445/4885
US-10780092-B2 Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators PDE2A, PDE3A, PDE5A GUCY1A1 4/4885GUCY1B1 6/4885CNR1 698/4885
US-10428076-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A GUCY1A1 1/4885GUCY1B1 4/4885CNR1 445/4885
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF TYMP, DPYD, TYMS GUCY1A1 3578/4885GUCY1B1 2644/4885CNR1 3716/4885

“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.