SCHEMBL601942

SCHEMBL601942

NC(=O)c1c[nH]nc1C(F)F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
LTK P29376 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
FLT3 P36888 1/20 0.32
CSNK1A1 P48729 1/20 0.32
PRKX P51817 1/20 0.32
CDK5 Q00535 1/20 0.32
MAP2K1 Q02750 1/20 0.32
MST1R Q04912 1/20 0.32
PTK2 Q05397 1/20 0.32
BTK Q06187 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
SCHEMBL601435 0.82 NOTUM (0.33) TDP1ALDH1A1
SCHEMBL16369379 0.82 SMN1; SMN2 (0.33)
SCHEMBL28131229 0.81 IRAK4 (0.37) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL16334638 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28309799 0.79 IRAK4 (0.36) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL19809947 0.78
SCHEMBL1218771 0.78 TSHR (0.39) MAP2K1TDP1ALDH1A1ATM
SCHEMBL28210632 0.78 NOS2 (0.33) NNMTSIRT3TDP1NOS2IRAK4
SCHEMBL4115256 0.77 GAA (0.37) CHEK1RETPDGFRACDK5LRRK2
SCHEMBL19809939 0.77 HMGCR (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234444-A Mixtures with insecticidal activity comprising sulfur-containing heterocyclylalkoxy compounds, oxides or salts thereof 皮埃企业有限公司 2023-06-06 CN claimed
CN-115551352-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-30 CN claimed
CN-112638894-B Substituted thiophenecarboxamides and analogues as antibacterial agents 拜耳公司 2024-03-29 CN disclosed
CN-112601744-B Substituted thiophenecarboxamides and analogues as antibacterial agents 拜耳公司 2024-03-29 CN disclosed
CN-110475776-B Tricyclic carboxamides for combating arthropods 拜耳作物科学股份公司 2024-03-19 CN disclosed
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
CN-116406357-A Modulators of MAS-related G protein receptor X2 and related products and methods 伊赛恩特制药公司 2023-07-07 CN disclosed
EP-4192251-A1 BIOINSECTICIDE Kannar Earth Science, Ltd. (US) 2023-06-14 EP disclosed
CN-116234444-A Mixtures with insecticidal activity comprising sulfur-containing heterocyclylalkoxy compounds, oxides or salts thereof 皮埃企业有限公司 2023-06-06 CN disclosed
CN-115551352-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-30 CN disclosed
CN-101535274-A Process for preparing difluoromethylpyrazolyl carboxylates BASF SE (DE) 2009-09-16 CN disclosed
EP-2086944-A1 PROCESS FOR PREPARING DIFLUOROMETHYLPYRAZOLYL CARBOXYLATES BASF SE (DE) 2009-08-12 EP disclosed
CN-101506173-A Process for preparing 3-dihalomethylpyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2009-08-12 CN disclosed
US-20090042725-A1 Fungicidal Mixtures Based on 3,5-Disubstituted N-Biphenyl-Pyrazolcarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 US disclosed
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 US disclosed
WO-2008152138-A2 METHOD FOR PRODUCING DIFLUOROMETHYL-SUBSTITUTED PYRAZOLE COMPOUNDS BASF SE (DE) 2008-12-18 WO disclosed
WO-2008145740-A1 METHOD FOR THE PRODUCTION OF N-SUBSTITUTED (3-DIHALOMETHYL-1-METHYL-PYRAZOLE-4-YL) CARBOXAMIDES BASF SE (DE) 2008-12-04 WO disclosed
WO-2008053043-A1 PROCESS FOR PREPARING DIFLUOROMETHYLPYRAZOLYL CARBOXYLATES BASF SE (DE) 2008-05-08 WO disclosed
US-5093347-A Alleviating infections in diseased plants MONSANTO COMPANY (US) 1992-03-03 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 (2 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-20090042725-A1 Fungicidal Mixtures Based on 3,5-Disubstituted N-Biphenyl-Pyrazolcarboxamides CBR3, CBR1, STS PLK4 3912/4885CHEK1 3114/4885AURKA 2961/4885
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 PLK4 4287/4885CHEK1 2632/4885AURKA 3357/4885

“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.