SCHEMBL406753

SCHEMBL406753

CC(=O)c1c(C(C)C)nn(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.34
MIF P14174 2/20 0.34
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
PDE5A O76074 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
PDE4A P27815 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34

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
SCHEMBL17290729 0.81 MIF (0.34) KDM4EALDH1A1MIFCYP1A2MEN1
SCHEMBL406673 0.80 BAZ2B (0.45) KDM4EALDH1A1MIFCYP1A2MEN1
SCHEMBL407056 0.79 L3MBTL1 (0.37) ALDH1A1MIFCYP1A2MEN1PDE5A
SCHEMBL335081 0.75 KDM4E (0.60) KDM4EALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL27142090 0.71
SCHEMBL17295183 0.71 ALDH1A1 (0.31) KDM4EALDH1A1MIFCYP1A2MEN1
SCHEMBL20334823 0.68 RET (0.38) ALDH1A1MIFCYP1A2MEN1PDE5A
SCHEMBL20551696 0.68 ALDH1A1 (0.33) ALDH1A1MIFCYP1A2MEN1PDE5A
SCHEMBL406185 0.68 L3MBTL1 (0.41) KDM4EALDH1A1MIFCYP1A2MEN1
SCHEMBL405756 0.68 L3MBTL1 (0.37) ALDH1A1MIFCYP1A2MEN1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180139962-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-24 US disclosed
US-9765034-B2 5-halogenopyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2017-09-19 US disclosed
US-9695126-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-04 US disclosed
US-9688608-B2 Pyrazole tetrahydronaphthyl carboxamides BAYER CROPSCIENCE AG (DE) 2017-06-27 US disclosed
US-9686985-B2 Fungicide N-cycloalkyl-N-bicyclicmethylene-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
US-9682937-B2 5-halogenopyrazole indanyl carboxamides BAYER CROPSCIENCE AG (DE) 2017-06-20 US disclosed
US-20160366885-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH 2016-12-22 US disclosed
US-20160316752-A1 N-CYCLOALKYL-N--(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-9468211-B2 Fungicide N-cycloalkyl-N-bicyclicmethylene-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-10-18 US disclosed
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
US-20150094350-A1 5- HALOGENOPYRAZOLE BENZOFURANYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2015-04-02 US disclosed
US-8772266-B2 Fungicide pyrazole carboxamides derivates BAYER CROPSCIENCE AG (DE) 2014-07-08 US disclosed
US-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AG 2014-05-29 US disclosed
US-20130296269-A1 5-Halogenopyrazolecarboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-07 US disclosed
US-20130237500-A1 N-ARYL PYRAZOLE(THIO)CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-12 US disclosed
US-20130231303-A1 5-HALOGENOPYRAZOLE(THIO)CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-05 US disclosed
US-20130225606-A1 N-HETARYLMETHYL PYRAZOLYLCARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
US-20130217727-A1 1-(HETEROCYCLIC CARBONYL)-2-SUBSTITUTED PYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-22 US disclosed
US-20130210864-A1 N-BENZYL HETEROCYCLIC CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2012-03-15 US 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 (13 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-20130217727-A1 1-(HETEROCYCLIC CARBONYL)-2-SUBSTITUTED PYRROLIDINES CBR3, CBR1, HPD KDM4E 745/4885ALDH1A1 1028/4885MIF 2730/4885
US-20130231303-A1 5-HALOGENOPYRAZOLE(THIO)CARBOXAMIDES CYP3A5, CBR3, GTF3C5 KDM4E 805/4885ALDH1A1 3236/4885MIF 4418/4885
US-20160366885-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES CBR3, CNPY2, CYP51A1 KDM4E 1255/4885ALDH1A1 3721/4885MIF 4477/4885
US-20130296269-A1 5-Halogenopyrazolecarboxamides CYP3A5, CBR3, HDHD5 KDM4E 578/4885ALDH1A1 3455/4885MIF 4517/4885
US-20160316752-A1 N-CYCLOALKYL-N--(THIO)CARBOXAMIDE DERIVATIVES CBR3, NANP, CYP51A1 KDM4E 1573/4885ALDH1A1 2775/4885MIF 3356/4885
US-20130225606-A1 N-HETARYLMETHYL PYRAZOLYLCARBOXAMIDES CYP51A1, HDHD5, CYP4Z1 KDM4E 1003/4885ALDH1A1 3162/4885MIF 3706/4885
US-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 KDM4E 657/4885ALDH1A1 4202/4885MIF 4262/4885
US-20130210864-A1 N-BENZYL HETEROCYCLIC CARBOXAMIDES CBR3, AADAC, BROX KDM4E 390/4885ALDH1A1 4040/4885MIF 4395/4885
US-20180139962-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS CBR3, CYP51A1, CBR1 KDM4E 1169/4885ALDH1A1 1665/4885MIF 2895/4885
US-20130237500-A1 N-ARYL PYRAZOLE(THIO)CARBOXAMIDES NAT1, NOD1, CBR3 KDM4E 1520/4885ALDH1A1 3452/4885MIF 3999/4885
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 KDM4E 657/4885ALDH1A1 4202/4885MIF 4262/4885
US-20150094350-A1 5- HALOGENOPYRAZOLE BENZOFURANYL CARBOXAMIDES BRI3BP, BRPF3, CBR3 KDM4E 654/4885ALDH1A1 2233/4885MIF 3074/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 KDM4E 507/4885ALDH1A1 4241/4885MIF 4038/4885

“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.