SCHEMBL14809889

SCHEMBL14809889

Clc1nn2ccccc2c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
EGFR P00533 3/20 0.44
MAPK14 Q16539 2/20 0.44
ADORA1 P30542 2/20 0.44
RAF1 P04049 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
GSK3B P49841 1/20 0.44
PDE4B Q07343 3/20 0.42
PDE5A O76074 2/20 0.42
MAPK1 P28482 5/20 0.41
IGF1R P08069 2/20 0.41
MAPK3 P27361 1/20 0.41
ADCY10 Q96PN6 1/20 0.40
PDE3A Q14432 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL14502354 0.79 AKT1 (0.65) AKT1EGFRMAPK14ADORA1RAF1
Hydrochloric Acid SCHEMBL7827222 0.76 EGFR (0.44) AKT1EGFRMAPK14ADORA1RAF1
SCHEMBL14809647 0.73 PDE5A (0.41) EGFRMAPK14ADORA1RAF1ADORA3
SCHEMBL14809960 0.73 PDE4B (0.38) EGFRMAPK14ADORA1RAF1ADORA3
SCHEMBL8810466 0.73 MAPK14 (0.78) AKT1EGFRMAPK14ADORA1RAF1
SCHEMBL8808933 0.72 MAPK14 (0.46) AKT1EGFRMAPK14ADORA1RAF1
SCHEMBL14502340 0.71 AKT1 (0.60) AKT1EGFRMAPK14ADORA1RAF1
SCHEMBL7667628 0.71 PDE5A (0.62) AKT1EGFRMAPK14ADORA1RAF1
SCHEMBL9197400 0.70 AKT1 (0.49) AKT1EGFRMAPK14ADORA1RAF1
SCHEMBL8808231 0.70 MAPK14 (0.53) AKT1EGFRMAPK14ADORA1RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9844553-B2 Pyrazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-19 US disclosed
US-9844553-B2 Pyrazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-19 US disclosed
US-9844553-B2 Pyrazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-19 US disclosed
US-20170020879-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2017-01-26 US disclosed
US-20170020879-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2017-01-26 US disclosed
US-9351973-B2 Pyrazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-9351973-B2 Pyrazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-9351973-B2 Pyrazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-20140288094-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2014-09-25 US disclosed
US-20140288094-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2014-09-25 US disclosed
US-20140288094-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2014-09-25 US disclosed
EP-2757884-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-07-30 EP disclosed
WO-2013043521-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013043521-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 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-20140288094-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B2, CYP11B1 AKT1 1834/4885EGFR 4181/4885MAPK14 598/4885
US-20170020879-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B2, CYP11B1 AKT1 1834/4885EGFR 4181/4885MAPK14 598/4885

“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.