SCHEMBL79687

SCHEMBL79687

CC(C)[C@@H](C)Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.32
CRHR1 P34998 1/20 0.32
ENPP1 P22413 1/20 0.32

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
SCHEMBL29783525 1.00 MAPK1 (0.37) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL3608660 1.00 MAPK1 (0.37) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL23925410 0.91 ALDH1A1 (0.34) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL23925412 0.91 ALDH1A1 (0.34) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL975954 0.91 MAPK1 (0.38) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL977522 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL22637997 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL80486 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL3117730 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL23944197 0.88 EGLN2 (0.40) KMT2AMEN1GAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160150785-A1 Synergistic Fungicidal Active Substance Combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-02 US claimed
US-20140213557-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2014-07-31 US claimed
US-20130196981-A1 Synergistic Fungicidal Active Substance Combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-01 US claimed
US-20120015910-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG (DE) 2012-01-19 US claimed
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles BAYER CROPSCIENCE AG (DE) 2011-07-07 US claimed
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 US claimed
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2010-10-28 US claimed
US-20100190645-A1 SYNERGISTIC FUNGICIDAL ACTIVE COMPOUND COMBINATIONS COMPRISING FORMONONETIN PLANT HEALTH CARE, INC. 2010-07-29 US claimed
EP-2132989-A2 Agent combinations Bayer CropScience AG (DE) 2009-12-16 EP claimed
US-20090280981-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-11-12 US claimed
US-20090149455-A1 Use of Triazolopyrimidines for Controlling Plant Diseases on Legumes BAYER CROPSCIENCE AG (DE) 2009-06-11 US claimed
US-20090117200-A1 Fungicide Composition Comprising a Phosphorous Acid Derivative, a Mandelamide Type Compound and a Further Fungicide Compound BAYER SAS (FR) 2009-05-07 US claimed
US-20090018176-A1 FUNGICIDE COMPOSITION COMPRISING AN ARYLAMIDINE DERIVATIVE AND TWO KNOWN FUNGICIDE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-01-15 US claimed
US-20090018015-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-15 US claimed
EP-1931200-A1 FUNGICIDE COMPOSITION COMPRISING AN ARYLAMIDINE DERIVATIVE AND TWO KNOWN FUNGICIDE COMPOUNDS Bayer CropScience AG (DE) 2008-06-18 EP claimed
EP-1898709-A1 FUNGICIDE COMPOSITION COMPRISING A PHOSPHOROUS ACID DERIVATIVE, A MANDELAMIDE TYPE COMPOUND AND A FURTHER FUNGICIDE COMPOUND Bayer CropScience S.A. (FR) 2008-03-19 EP claimed
EP-1713336-B1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING MITOSIS AND CELL DIVISION BAYER CROPSCIENCE SA (FR) 2007-07-04 EP claimed
WO-2007031507-A1 FUNGICIDE COMPOSITION COMPRISING AN ARYLAMIDINE DERIVATIVE AND TWO KNOWN FUNGICIDE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-03-22 WO claimed
US-20070060579-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2006136551-A1 FUNGICIDE COMPOSITION COMPRISING A PHOSPHOROUS ACID DERIVATIVE, A MANDELAMIDE TYPE COMPOUND AND A FURTHER FUNGICIDE COMPOUND BAYER CROPSCIENCE SA (FR) 2006-12-28 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 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-20090117200-A1 Fungicide Composition Comprising a Phosphorous Acid Derivative, a Mandelamide Type Compound and a Further Fungicide Compound PPA1, PPME1, MTAP MAPK1 621/4885KMT2A 1492/4885MEN1 106/4885
US-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN MAPK1 3326/4885KMT2A 263/4885MEN1 2774/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 MAPK1 3681/4885KMT2A 1733/4885MEN1 2134/4885
US-20090018015-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CYP3A7 MAPK1 4210/4885KMT2A 1555/4885MEN1 1718/4885
US-20090018176-A1 FUNGICIDE COMPOSITION COMPRISING AN ARYLAMIDINE DERIVATIVE AND TWO KNOWN FUNGICIDE COMPOUNDS NAT1, DDT, CNPY2 MAPK1 3189/4885KMT2A 982/4885MEN1 216/4885
US-20160150785-A1 Synergistic Fungicidal Active Substance Combinations CYP1A2, CAT, CYP51A1 MAPK1 3934/4885KMT2A 2163/4885MEN1 1515/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN MAPK1 3326/4885KMT2A 263/4885MEN1 2774/4885
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles NAT1, ACAT1, CAT MAPK1 2868/4885KMT2A 1304/4885MEN1 2107/4885
US-20070060579-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 MAPK1 4014/4885KMT2A 2104/4885MEN1 1780/4885
US-20120015910-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 MAPK1 4014/4885KMT2A 2104/4885MEN1 1780/4885
US-20100190645-A1 SYNERGISTIC FUNGICIDAL ACTIVE COMPOUND COMBINATIONS COMPRISING FORMONONETIN CYP51A1, ERG28, CYP3A7 MAPK1 2040/4885KMT2A 3587/4885MEN1 196/4885
US-20130196981-A1 Synergistic Fungicidal Active Substance Combinations CYP51A1, CYP1A2, CYP4X1 MAPK1 4014/4885KMT2A 2104/4885MEN1 1780/4885
US-20090280981-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS CYP51A1, ERG28, CYP4X1 MAPK1 3283/4885KMT2A 2897/4885MEN1 2860/4885
US-20090149455-A1 Use of Triazolopyrimidines for Controlling Plant Diseases on Legumes TYMP, CCNT2, PNPO MAPK1 1694/4885KMT2A 1970/4885MEN1 4431/4885

“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.