SCHEMBL1889438

SCHEMBL1889438

OB(O)c1ccc(OC2CCOCC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 5/20 0.37
PIK3CA P42336 2/20 0.37
PIK3R1 P27986 1/20 0.37
SYK P43405 1/20 0.36
SCN9A Q15858 3/20 0.36
NAMPT P43490 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SCN5A Q14524 1/20 0.35
LRRK2 Q5S007 2/20 0.34
KAT2B Q92831 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
P2RX3 P56373 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
SCHEMBL29950747 1.00 LIPE (0.37) LIPEPIK3CAPIK3R1SYKSCN9A
SCHEMBL20162846 0.89 LIPE (0.41) LIPENAMPT
SCHEMBL31741619 0.89 LIPE (0.41) LIPENAMPT
SCHEMBL21284493 0.86 LIPE (0.39) LIPENAMPT
SCHEMBL3574281 0.86 ACACB (0.41) LIPENAMPT
SCHEMBL623325 0.84 ACACB (0.40) LIPENAMPT
SCHEMBL14167604 0.79 PIM1 (0.39) LIPELRRK2
SCHEMBL4554263 0.78 HDAC6 (0.47) HDAC6LRRK2
SCHEMBL3396466 0.76 PIK3CA (0.41) PIK3CAPIK3R1SYKSCN9AHDAC6
SCHEMBL18307136 0.76 FAAH (0.41) PIK3CAPIK3R1SYKSCN9ANAMPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890162-B2 Bicyclic aromatic carboxamide compounds useful as pim kinase inhibitors INCYTE CORPORATION (US) 2018-02-13 US disclosed
US-20170253587-A1 BICYCLIC AROMATIC CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-09-07 US disclosed
US-9580418-B2 Bicyclic aromatic carboxamide compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-02-28 US disclosed
US-20160009714-A1 BICYCLIC AROMATIC CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2016-01-14 US disclosed
US-7998968-B2 Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-16 US disclosed
US-7998968-B2 Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-16 US disclosed
US-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-05-12 US disclosed
US-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-05-12 US disclosed
EP-2256115-A1 Heteromonocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed
US-7803940-B2 Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20100105709-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-29 US disclosed
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-03-04 US disclosed
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-03-04 US disclosed
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-07-09 US disclosed
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-07-09 US disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 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 (7 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-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 LIPE 1376/4885PIK3CA 2535/4885PIK3R1 846/4885
US-20160009714-A1 BICYCLIC AROMATIC CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 LIPE 4786/4885PIK3CA 144/4885PIK3R1 384/4885
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF CYP11B2, CYP11B1, NR3C2 LIPE 1112/4885PIK3CA 2423/4885PIK3R1 1342/4885
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C3AR1, C1S LIPE 1534/4885PIK3CA 2629/4885PIK3R1 999/4885
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 LIPE 1376/4885PIK3CA 2535/4885PIK3R1 846/4885
US-20170253587-A1 BICYCLIC AROMATIC CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 LIPE 4786/4885PIK3CA 144/4885PIK3R1 384/4885
US-20100105709-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 LIPE 1376/4885PIK3CA 2535/4885PIK3R1 846/4885

“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.