SCHEMBL2494591

SCHEMBL2494591

NC(c1cccnc1)c1cccnc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.58
GOPC Q9HD26 2/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.54
CYP19A1 P11511 2/20 0.50
KCNA5 P22460 3/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
KCNN4 O15554 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.44
CYP17A1 P05093 1/20 0.44
TSHR P16473 1/20 0.44

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 SCHEMBL3751857 0.98 CFTR (0.56) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL5075468 0.93 CFTR (0.63) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL18228201 0.91 SLC6A2 (0.50) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL18228425 0.91 CFTR (0.50) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL10371774 0.86 POLB (0.51) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL10561123 0.86 CYP17A1 (0.60) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL6730606 0.86 CFTR (0.46) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL3832267 0.86 CYP19A1 (0.68) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL10562053 0.86 CFTR (0.46) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL7404866 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017024015-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
WO-2017024003-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2017-02-09 WO claimed
WO-2017023993-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
WO-2017024025-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF KC SUNIL KUMAR (US) 2017-02-09 WO claimed
WO-2017023981-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
WO-2016040184-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2016-03-17 WO claimed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
WO-2017023981-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed
US-8030332-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-10-04 US disclosed
US-8030332-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-10-04 US disclosed
US-20090069312-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
US-20090069312-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
EP-1981508-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089743-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089743-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 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 (2 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-20090069312-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 CFTR 479/4885GOPC 989/4885SLC6A2 851/4885
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 CFTR 1319/4885GOPC 4740/4885SLC6A2 2751/4885

“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.