SCHEMBL1891599

SCHEMBL1891599

CCCc1nc(C)n(-c2ccc(OC(F)(F)F)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.40
AGTR1 P30556 1/20 0.40
PPARG P37231 2/20 0.40
F10 P00742 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1892167 0.93 AGTR1 (0.40) AGTR1PPARGF10
SCHEMBL1892239 0.91 F10 (0.47) AGTR1PPARGF10
SCHEMBL1890807 0.90 AGTR1 (0.39) AGTR1PPARGF10
SCHEMBL1887272 0.90 AGTR1 (0.41) AGTR1PPARGF10
SCHEMBL1890328 0.90 AGTR1 (0.41) TDP2AGTR1PPARGF10
SCHEMBL2842769 0.90 F10 (0.39) AGTR1PPARGF10
SCHEMBL1886835 0.90 AGTR1 (0.38) AGTR1PPARGF10
SCHEMBL1891312 0.89 AGTR1 (0.40) AGTR1PPARGF10
SCHEMBL1890954 0.89 PPARG (0.42) AGTR1PPARG
SCHEMBL1896297 0.89 F10 (0.39) AGTR1PPARGF10

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-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-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-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-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-06 US disclosed
US-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-06 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
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
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 (5 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 TDP2 4075/4885AGTR1 16/4885PPARG 3043/4885
US-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 TDP2 4075/4885AGTR1 16/4885PPARG 3043/4885
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF CYP11B2, CYP11B1, NR3C2 TDP2 4168/4885AGTR1 9/4885PPARG 1212/4885
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C3AR1, C1S TDP2 4251/4885AGTR1 22/4885PPARG 3372/4885
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 TDP2 4075/4885AGTR1 16/4885PPARG 3043/4885

“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.