Sugi Predict

Sugi Predict / Compounds / SCHEMBL7687069

SCHEMBL7687069

SCHEMBL7687069

Cn1nc(-c2ccc(Cl)cn2)c(Cl)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.37
▸ CYP2C9 P11712 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ SLC34A1 Q06495 2/20 0.32
▸ P2RX3 P56373 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
SCHEMBL7689569 0.81 KMT2A (0.36) CYP2C9MEN1KMT2ACYP1A2CYP2C19
SCHEMBL13682912 0.79 NPC1 (0.41) P2RX7CYP1A2KDM4EALDH1A1SMN1; SMN2
SCHEMBL7690320 0.78 SMN1; SMN2 (0.36) CYP2C9MEN1KMT2ACYP1A2CYP2C19
SCHEMBL7904413 0.77 MEN1 (0.35) CYP2C9MEN1KMT2ACYP1A2CYP2C19
SCHEMBL7906781 0.77 P2RX7 (0.39) P2RX7CYP2C9MEN1KMT2ACYP1A2
SCHEMBL7910810 0.77 KMT2A (0.38) CYP2C9MEN1KMT2ACYP1A2CYP2C19
SCHEMBL8108697 0.73 SLC34A1 (0.38) CYP2C9MEN1KMT2ACYP1A2CYP2C19
SCHEMBL8569766 0.73 HSD11B1 (0.47) CYP2C9MEN1KMT2ACYP1A2CYP2C19
SCHEMBL7910825 0.72 TRPM8 (0.36) CYP2C9MEN1KMT2ACYP1A2CYP2C19
SCHEMBL14039900 0.72 ALDH1A1 (0.50) CYP2C9MEN1KMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020055639-A1 Pyrazole derivatives as herbicides NEBEL KURT (CH) 2002-05-09 — — US disclosed
US-6274536-B1 CROPS, AGRICULTURE; PRE- AND POSTEMERGENCE SYNGENTA CROP PROTECTION, INC. 2001-08-14 — — US disclosed
US-6204221-B1 Herbicides SYNGENTA CROP PROTECTION, INC. 2001-03-20 — — US disclosed
CN-1250446-A Pyrazole derivatives as herbicides NOVARTIS AG (CH) 2000-04-12 — — CN disclosed
EP-0966461-A1 PYRAZOLE DERIVATIVES AS HERBICIDES Novartis AG (CH) 1999-12-29 — — EP disclosed
EP-0941222-A2 PYRAZOLE DERIVATIVES USEFUL AS HERBICIDES Novartis AG (CH) 1999-09-15 — — EP disclosed
WO-1998042698-A1 PYRAZOLE DERIVATIVES AS HERBICIDES NOVARTIS AG (CH) 1998-10-01 — — WO disclosed
WO-1998021199-A2 PYRAZOLE DERIVATIVES USEFUL AS HERBICIDES NOVARTIS AG (CH) 1998-05-22 — — 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 (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-20020055639-A1 Pyrazole derivatives as herbicides CBR3, HCN1, HCN2 P2RX7 2428/4885CYP2C9 886/4885MEN1 2798/4885

“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.