SCHEMBL8385317

SCHEMBL8385317

c1cncc(-c2cnc3c(c2)CCN3)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.57
CYP11B2 P19099 11/20 0.50
CYP11B1 P15538 7/20 0.50
PIK3C3 Q8NEB9 1/20 0.49
GRM5 P41594 1/20 0.49
PIK3CD O00329 1/20 0.47
CYP1A2 P05177 6/20 0.47
CYP2A6 P11509 3/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 2/20 0.46
TBXAS1 P24557 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
CYP2C19 P33261 1/20 0.44
NNMT P40261 1/20 0.44
CYP19A1 P11511 1/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43

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
SCHEMBL20237379 0.91 CYP11B2 (0.55) ASIC3CYP11B2CYP11B1PIK3C3CYP1A2
SCHEMBL16196012 0.91 CYP11B2 (0.55) ASIC3CYP11B2CYP11B1PIK3C3CYP1A2
SCHEMBL8385558 0.85 ASIC3 (0.61) ASIC3PIK3C3GRM5PIK3CDNNMT
SCHEMBL8385495 0.82 ASIC3 (0.57) ASIC3CYP11B2CYP11B1PIK3C3GRM5
SCHEMBL8389157 0.79 ASIC3 (0.58) ASIC3PIK3C3GRM5PIK3CDNNMT
SCHEMBL6187188 0.76 CYP11B1 (0.65) CYP11B2CYP11B1CYP1A2CYP2A6CYP3A4
SCHEMBL10293323 0.76 ASIC3 (0.62) ASIC3CYP11B2CYP11B1PIK3C3GRM5
SCHEMBL8388712 0.76 ASIC3 (0.62) ASIC3PIK3C3GRM5PIK3CDNNMT
SCHEMBL8388889 0.76 ASIC3 (0.54) ASIC3CYP11B2PIK3C3GRM5PIK3CD
SCHEMBL12843362 0.75 ASIC3 (0.54) ASIC3PIK3C3GRM5PIK3CDCYP1A2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991985-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-2991985-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-2991985-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2016-03-09 EP disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-20140377569-A1 SILICONE COMPOSITION THAT CAN BE CROSS-LINKED BY MEANS OF DEHYDROGENATIVE CONDENSATION IN THE PRESENCE OF A CARBENE-TYPE CATALYST BLUESTAR SILICONES FRANCE (FR) 2014-12-25 US disclosed
WO-2014179186-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-06 WO disclosed
WO-2014179186-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-06 WO disclosed
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 US disclosed
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 ASIC3 4092/4885CYP11B2 4432/4885CYP11B1 4193/4885
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ASIC3 4358/4885CYP11B2 2264/4885CYP11B1 2149/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ASIC3 4358/4885CYP11B2 2264/4885CYP11B1 2149/4885
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, REN ASIC3 2792/4885CYP11B2 4/4885CYP11B1 1/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ASIC3 4358/4885CYP11B2 2264/4885CYP11B1 2149/4885

“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.