SCHEMBL21799368

SCHEMBL21799368

CC(C)(C)CCOc1cn(-c2cccnc2)nc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPK1 P28482 1/20 0.39
DGAT1 O75907 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
IDO1 P14902 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NR1I2 O75469 1/20 0.36
HTT P42858 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
GAA P10253 1/20 0.35
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL21799433 0.90 IRAK4 (0.46) NPC1RAB9AMAPK1DGAT1IRAK4
SCHEMBL21799389 0.87 NPC1 (0.48) NPC1RAB9AMAPK1DGAT1KMT2A
SCHEMBL21799396 0.81 SGMS2 (0.49) KMT2AMEN1HTTALDH1A1
SCHEMBL10290923 0.75 KMT2A (0.48) NPC1RAB9AMAPK1KMT2AMEN1
SCHEMBL20239588 0.74 NPC1 (0.51) NPC1RAB9AMAPK1DGAT1KMT2A
SCHEMBL168289 0.74 DGAT1 (0.45) NPC1RAB9AMAPK1DGAT1IRAK4
Hydrochloric Acid SCHEMBL518722 0.74 KMT2A (0.47) NPC1RAB9AMAPK1KMT2AMEN1
SCHEMBL28308385 0.73 ALDH1A1 (0.51) NPC1RAB9AMAPK1IRAK4KMT2A
SCHEMBL21799424 0.72 SGMS2 (0.47) IRAK4KMT2AHTTALDH1A1
SCHEMBL10267021 0.71 NPC1 (0.42) NPC1RAB9AMAPK1IRAK4KMT2A

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
US-11993578-B2 Pyrazole-3-carboxylic acid amide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-05-28 US disclosed
CN-110612295-B Pyrazole-3-carboxylic acid amide derivative and pest control agent 组合化学工业株式会社 2023-07-14 CN disclosed
EP-3623365-B1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2023-01-04 EP disclosed
US-20200199096-A1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-25 US disclosed
EP-3623365-A1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2020-03-18 EP disclosed
CN-110612295-A Pyrazole-3-carboxylic acid amide derivative and pest control agent 组合化学工业株式会社 2019-12-24 CN 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-20200199096-A1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT H1-3, HDAC3, H1-0 NPC1 3658/4885RAB9A 166/4885MAPK1 535/4885
US-11993578-B2 Pyrazole-3-carboxylic acid amide derivative and pest control agent H1-3, HDAC3, H1-0 NPC1 3658/4885RAB9A 166/4885MAPK1 535/4885

“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.