SCHEMBL1769853

SCHEMBL1769853

Cc1ccc2sc(-c3cnccc3C(C)O)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.38
LIMK2 P53671 1/20 0.38
RPS6KA3 P51812 2/20 0.36
CYP2A6 P11509 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PDGFRB P09619 9/20 0.34
KDR P35968 9/20 0.34
CYP11B2 P19099 1/20 0.33
TGFBR1 P36897 2/20 0.33

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
SCHEMBL1769837 0.84 APP (0.40) LIMK1RPS6KA3CYP11B2
SCHEMBL12430648 0.70 CYP2A6 (0.57) CYP2A6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1769889 0.70 CYP2A6 (0.45) LIMK1LIMK2RPS6KA3CYP2A6CYP11B2
SCHEMBL1769970 0.65 RPS6KA3 (0.46) RPS6KA3CYP11B2
SCHEMBL13220241 0.64 ESR1 (0.51) CYP2A6TGFBR1
SCHEMBL2892375 0.63 GAA (0.41) RPS6KA3CYP2A6CYP11B2
SCHEMBL6922179 0.63 CCNC (0.50) RPS6KA3CYP11B2
SCHEMBL144441 0.63 CYP2A6 (0.57) CYP2A6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2175209 0.62 CYP2A6 (0.47) LIMK1RPS6KA3CYP2A6HDAC3HDAC1
SCHEMBL14282441 0.62 ESR1 (0.45) CYP2A6HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2993169-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2017-12-20 EP claimed
EP-2993169-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2016-03-09 EP claimed
EP-2993169-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2017-12-20 EP disclosed
EP-2993169-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2017-12-20 EP disclosed
EP-2993169-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2016-03-09 EP disclosed
EP-2993169-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2016-03-09 EP disclosed
EP-2501678-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US disclosed
CN-102712589-A Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2012-10-03 CN disclosed
EP-2501678-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-09-26 EP disclosed
WO-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO disclosed
WO-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 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 (1 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-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 LIMK1 2938/4885LIMK2 3136/4885RPS6KA3 1352/4885

“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.