SCHEMBL17596120

SCHEMBL17596120

O=C(O)c1cc2cccnc2c(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.50
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.45
TOP1 P11387 2/20 0.43
PLK4 O00444 1/20 0.42
MAP4K4 O95819 1/20 0.42
EGFR P00533 1/20 0.42
ROS1 P08922 1/20 0.42
PIM1 P11309 1/20 0.42
AXL P30530 1/20 0.42
FLT3 P36888 1/20 0.42
FRK P42685 1/20 0.42
MAP4K2 Q12851 1/20 0.42
NTRK3 Q16288 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
AURKB Q96GD4 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL17596186 0.83 ALDH1A1 (0.46) L3MBTL1ALDH1A1LMNATOP1CYP2C9
SCHEMBL17596173 0.83 CYP2C9 (0.44) ALDH1A1LMNADHODHCYP2C9CYP2C19
SCHEMBL17595556 0.81 ALDH1A1 (0.47) L3MBTL1ALDH1A1LMNAALOX12PLK4
SCHEMBL18309310 0.81 CYP2C9 (0.41) L3MBTL1ALDH1A1DHODHCYP2C9CYP2C19
SCHEMBL17596608 0.80 L3MBTL1 (0.40) L3MBTL1TOP1PLK4MAP4K4EGFR
SCHEMBL20328556 0.80 CYP2C9 (0.40) L3MBTL1ALDH1A1DHODHCYP2C9CYP2C19
SCHEMBL17596170 0.78 ALDH1A1 (0.47) ALDH1A1LMNAALOX12DHODHKDM4E
SCHEMBL17595920 0.77 ALDH1A1 (0.44) L3MBTL1ALDH1A1LMNAALOX12PLK4
SCHEMBL17596190 0.77 POLB (0.47) L3MBTL1LMNACYP2C9KDM4ENPC1
SCHEMBL28486879 0.74 ALDH1A1 (0.49) L3MBTL1ALDH1A1LMNAALOX12DHODH

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-106715425-B Herbicidal quinolines 先正达参股股份有限公司 2020-11-06 CN disclosed
EP-3191465-B1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2018-12-19 EP disclosed
US-9980486-B2 Herbicidal quinolines SYNGENTA PARTICIPATIONS AG (CH) 2018-05-29 US disclosed
US-20170251670-A1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2017-09-07 US disclosed
EP-3191465-A1 HERBICIDAL QUINOLINES Syngenta Participations AG (CH) 2017-07-19 EP disclosed
WO-2016038173-A1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2016-03-17 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-20170251670-A1 HERBICIDAL QUINOLINES NQO2, DDT, ATP1B1 L3MBTL1 783/4885ALDH1A1 33/4885LMNA 3143/4885

“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.