SCHEMBL1770002

SCHEMBL1770002

OCc1c(F)cncc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.45
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
CDK1 P06493 1/20 0.39
FES P07332 1/20 0.39
ROS1 P08922 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 1/20 0.39
FER P16591 1/20 0.39
PRKACA P17612 1/20 0.39
FGFR3 P22607 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK1 P28482 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
FRK P42685 1/20 0.39

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
SCHEMBL17091628 0.85 RPS6KA3 (0.45) RPS6KA3CDC7PLK4DAPK3CHEK2
SCHEMBL1769857 0.82 RPS6KA3 (0.48) RPS6KA3CDC7PLK4DAPK3PRKD3
SCHEMBL17091617 0.82 CSNK1D (0.45) RPS6KA3PLK4DAPK3CHEK2CDK1
SCHEMBL1770006 0.78 GCGR (0.41) RPS6KA3MAPK1USP7GCGRTDO2
SCHEMBL844970 0.77 KCNQ2 (0.35) POLB
SCHEMBL17091626 0.76 KCNQ2 (0.43) RPS6KA3PIM1PIM3USP7GCGR
SCHEMBL6920948 0.74 CYP11B2 (0.50) SLC22A12
SCHEMBL14240045 0.74 CYP11B2 (0.48)
SCHEMBL1769779 0.72 PRF1 (0.49)
SCHEMBL17091623 0.70 CYP11B2 (0.54) RPS6KA3GSK3BDYRK1AGCGRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501678-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP claimed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US claimed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US claimed
CN-102712589-A Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2012-10-03 CN claimed
EP-2501678-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-09-26 EP claimed
WO-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO claimed
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-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

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 RPS6KA3 1352/4885CDC7 3547/4885PLK4 1084/4885

“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.