SCHEMBL596089

SCHEMBL596089

COC(=O)c1cn(C)nc1C(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.39
NR4A2 P43354 2/20 0.37
ACACB O00763 1/20 0.37
BRD4 O60885 2/20 0.36
ADCY10 Q96PN6 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR2 P34972 1/20 0.35
GLA P06280 1/20 0.34
HSD17B10 Q99714 1/20 0.34
F2 P00734 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
SCHEMBL439677 0.85 TSHR (0.38) GAAMAPTACACBALDH1A1KMT2A
SCHEMBL23142702 0.85 MAPT (0.40) GAAMAPTNR4A2BRD4ADCY10
SCHEMBL1864010 0.84 GAA (0.42) GAAMAPTNR4A2BRD4ADCY10
SCHEMBL596995 0.84 ALDH1A1 (0.41) GAAMAPTACACBALDH1A1L3MBTL1
SCHEMBL19186 0.84 JMJD6 (0.44) GAAALDH1A1KMT2AMEN1GLA
SCHEMBL3294649 0.83 MAPT (0.39) GAAMAPTNR4A2BRD4ADCY10
SCHEMBL3296730 0.83 MAPT (0.39) GAAMAPTNR4A2BRD4ADCY10
SCHEMBL2248952 0.83 TSHR (0.47) GAAMAPTACACBALDH1A1KMT2A
SCHEMBL12500582 0.83 ACACB (0.39) GAAACACBALDH1A1IRAK4
SCHEMBL21126450 0.83 GAA (0.56) GAAMAPTACACBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598900-A1 METHOD FOR PREPARING AMIDES FROM ESTERS BASF SE (DE) 2025-08-13 EP disclosed
CN-119998260-A Process for preparing amides from esters 巴斯夫欧洲公司 2025-05-13 CN disclosed
WO-2024074641-A1 METHOD FOR PREPARING AMIDES FROM ESTERS BASF SE (DE) 2024-04-11 WO disclosed
CN-117800956-A Benzo heterocyclic hydrazide hydrazone compound, preparation method and bactericide application 华东理工大学 2024-04-02 CN disclosed
CN-112608307-B Heterocyclic substituted 1,3,4-oxadiazole hydrazide compound as well as preparation method and application thereof 贵州大学 2023-11-17 CN disclosed
EP-3797099-B1 METHOD FOR PREPARING SUBSTITUTED HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD (IN) 2023-11-01 EP disclosed
EP-3650442-B1 METHOD FOR THE PREPARATION OF DIFLUOROMETHYL PYRAZOLE CARBOXYLIC ALKYL ESTER AND ITS ACID LONZA SOLUTIONS AG (CH) 2021-06-30 EP disclosed
CN-112608307-A Heterocyclic ring substituted 1,3, 4-oxadiazole hydrazide compounds, and preparation method and application thereof 贵州大学 2021-04-06 CN disclosed
EP-3797099-A1 METHOD FOR PREPARING SUBSTITUTED HETEROCYCLIC COMPOUNDS PI Industries Ltd. (IN) 2021-03-31 EP disclosed
CN-112041303-A Process for preparing substituted heterocyclic compounds PI工业有限公司 2020-12-04 CN disclosed
US-7939673-B2 Process for preparing 3-dihalomethyl-pyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2011-05-10 US disclosed
US-7939673-B2 Process for preparing 3-dihalomethyl-pyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2011-05-10 US disclosed
EP-2057126-B1 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-10 EP disclosed
US-20100184994-A1 Method for Producing Difluoromethyl-Substituted Pyrazole Compounds BASF SE (DE) 2010-07-22 US disclosed
US-20100069646-A1 Process for preparing difluoromethylpyrazolyl carboxylates BASF SE (DE) 2010-03-18 US disclosed
US-20090326242-A1 PROCESS FOR PREPARING 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-12-31 US disclosed
US-20090326242-A1 PROCESS FOR PREPARING 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-12-31 US disclosed
US-20090326242-A1 PROCESS FOR PREPARING 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-12-31 US disclosed
CN-101506173-A Process for preparing 3-dihalomethylpyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2009-08-12 CN disclosed
WO-2008022777-A2 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-28 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 (3 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-20090326242-A1 PROCESS FOR PREPARING 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES HRH4, SUV39H2, SUV39H1 GAA 962/4885MAPT 3796/4885NR4A2 3110/4885
US-20100184994-A1 Method for Producing Difluoromethyl-Substituted Pyrazole Compounds NR4A1, NR4A3, NR3C1 GAA 4685/4885MAPT 4870/4885NR4A2 4/4885
US-20100069646-A1 Process for preparing difluoromethylpyrazolyl carboxylates HCN2, HCN3, C9 GAA 4826/4885MAPT 4855/4885NR4A2 2132/4885

“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.