SCHEMBL2539950

SCHEMBL2539950

N#Cc1ccc(-c2ccc(F)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.56
CYP11B1 P15538 1/20 0.49
CYP2A6 P11509 2/20 0.47
CYP2B6 P20813 2/20 0.47
CYP2E1 P05181 1/20 0.47
KIF11 P52732 3/20 0.47
MMP3 P08254 1/20 0.47
RIPK1 Q13546 1/20 0.46
KDM1A O60341 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
PDE10A Q9Y233 1/20 0.42
EGLN2 Q96KS0 2/20 0.41
PGR P06401 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40

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
SCHEMBL456126 0.83
SCHEMBL29413240 0.83
SCHEMBL15054974 0.82 KDM4E (0.48) CYP11B2CYP11B1CYP2A6CYP2B6CYP2E1
SCHEMBL4021783 0.80 CYP11B2 (0.56) CYP11B2CYP11B1EGLN2GABRA1GABRG2
SCHEMBL26104326 0.80 CYP2A6 (0.64) CYP11B2CYP11B1CYP2A6CYP2B6CYP2E1
SCHEMBL17157493 0.78 CYP11B2 (0.53) CYP11B2KIF11MMP3RIPK1KDM1A
SCHEMBL9024185 0.78 CYP11B2 (0.53) CYP11B2KIF11MMP3RIPK1EGLN1
SCHEMBL753744 0.76 CYP2A6 (0.55) CYP11B2CYP11B1CYP2A6CYP2B6CYP2E1
SCHEMBL15156799 0.76 PIK3CD (0.59) CYP11B2KIF11MMP3RIPK1EGLN1
SCHEMBL20646149 0.76 MMP3 (0.57) CYP11B2KIF11MMP3RIPK1EGLN1

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
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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 (4 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 CYP11B2 1613/4885CYP11B1 1536/4885CYP2A6 1109/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 CYP11B2 955/4885CYP11B1 1082/4885CYP2A6 552/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 CYP11B2 266/4885CYP11B1 292/4885CYP2A6 953/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 CYP11B2 270/4885CYP11B1 296/4885CYP2A6 427/4885

“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.