SCHEMBL6887159

SCHEMBL6887159

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

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
POLB P06746 3/20 0.55
LMNA P02545 2/20 0.55
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
CFTR P13569 2/20 0.41
STING1 Q86WV6 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NR4A2 P43354 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL1122502 0.88 GAA (0.65) GAAPOLBLMNANPC1PKM
SCHEMBL965934 0.84 GAA (0.60) GAAPOLBLMNATSHRKDM4E
SCHEMBL6887971 0.83 GAA (0.49) GAAPOLBLMNANPC1KDM4E
SCHEMBL13936345 0.81 POLB (0.58) GAAPOLBLMNASTING1
SCHEMBL353314 0.81 GAA (0.56) GAAPOLBLMNANPC1PKM
SCHEMBL19182678 0.81 GAA (0.56) GAAPOLBLMNANPC1PKM
SCHEMBL28342529 0.80 GAA (0.56) GAAPOLBLMNANPC1PKM
SCHEMBL12670932 0.80 LMNA (0.62) GAAPOLBLMNASTING1
SCHEMBL28114507 0.80 LMNA (0.62) GAAPOLBLMNASTING1KDM4E
SCHEMBL4705862 0.80 KMT2A (0.56) GAAPOLBLMNANPC1STING1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039225-A Purification method of fluorine-containing methyl pyrazole carboxylic ester 中蓝晨光化工研究设计院有限公司 2024-11-29 CN disclosed
US-7709637-B2 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi BASF SE (DE) 2010-05-04 US disclosed
CN-100338029-C Method for producing 2-halogenacyl-3-amino-acrylic acid derivatives BAYER AG (DE) 2007-09-19 CN disclosed
US-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi METAVANTE CORPORATION 2007-04-19 US disclosed
CN-1604889-A Method for producing 2-halogenacyl-3-amino-acrylic acid derivatives BAYER AG (DE) 2005-04-06 CN disclosed
US-6706911-B1 REACTING N-SUBSTITUTED 3-AMINOACRYLIC ESTERS WITH HALOALKYLCARBOXYLIC ANHYDRIDES IN PRESENCE OF BASE; PYRAZOLE-4-CARBOXYLIC ACID CHEMICAL INTERMEDIATES; HALOACYLATION BAYER AKTIENGESELLSCHAFT (DE) 2004-03-16 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 (1 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-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi DPYD, CBR3, RNGTT GAA 3639/4885POLB 341/4885LMNA 3156/4885

“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.