SCHEMBL516605

SCHEMBL516605

CC(C)(c1ccc(C#N)cc1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.55
PDE2A O00408 1/20 0.47
CYP2A6 P11509 2/20 0.44
PTPN5 P54829 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP19A1 P11511 6/20 0.43
NR1H3 Q13133 1/20 0.41
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HSD11B1 P28845 4/20 0.39
MLYCD O95822 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 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
SCHEMBL1840392 0.82 KIF11 (0.59) KIF11CYP2A6PTPN5ALDH1A1CYP19A1
SCHEMBL2320753 0.82 KIF11 (0.59) KIF11CYP2A6PTPN5ALDH1A1CYP19A1
SCHEMBL2324355 0.79 HSD11B1 (0.57) KIF11PTPN5NR1H3HSD11B1
SCHEMBL22303438 0.78 KIF11 (0.55) KIF11CYP2A6PTPN5ALDH1A1CYP19A1
SCHEMBL5361628 0.77 KIF11 (0.59) KIF11CYP2A6PTPN5ALDH1A1CYP19A1
SCHEMBL2853329 0.77 KIF11 (0.59) KIF11CYP2A6PTPN5ALDH1A1CYP19A1
SCHEMBL7601631 0.77 KIF11 (0.59) KIF11CYP2A6PTPN5ALDH1A1CYP19A1
SCHEMBL17344731 0.77 KIF11 (0.59) KIF11CYP2A6PTPN5ALDH1A1CYP19A1
SCHEMBL22680624 0.77 KIF11 (0.53) KIF11CYP2A6PTPN5ALDH1A1CYP19A1
SCHEMBL69655 0.77 KIF11 (0.86) KIF11CYP2A6PTPN5ALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
US-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-06 US disclosed
US-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-06 US disclosed
EP-2569312-B1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER IP GMBH (DE) 2014-03-26 EP disclosed
EP-2569312-B1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER IP GMBH (DE) 2014-03-26 EP disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
US-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
US-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
EP-2569312-A1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2013-03-20 EP disclosed
US-20120028950-A1 Substituted heterocyclylbenzylpyrazoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141326-A1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141326-A1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2010054762-A1 AMINOALKYL-SUBSTITUTED COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 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 (6 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-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS HIF1AN, HIF1A, EGLN3 KIF11 4583/4885PDE2A 1222/4885CYP2A6 957/4885
US-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof HIF1AN, VHL, HIF1A KIF11 4820/4885PDE2A 947/4885CYP2A6 1485/4885
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL KIF11 4865/4885PDE2A 2712/4885CYP2A6 516/4885
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use VHL, HIF1AN, HIF1A KIF11 4776/4885PDE2A 1165/4885CYP2A6 627/4885
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS HIF1AN, HIF1A, VHL KIF11 4848/4885PDE2A 1584/4885CYP2A6 560/4885
US-20120028950-A1 Substituted heterocyclylbenzylpyrazoles and use thereof HIF1AN, VHL, HIF1A KIF11 4810/4885PDE2A 1019/4885CYP2A6 1476/4885

“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.