SCHEMBL23370441

SCHEMBL23370441

COc1cc(Oc2cccc3nnn(CCCC(F)(F)F)c23)ncn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SLC5A2 P31639 1/20 0.35
▸ KDR P35968 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ TNNI3K Q59H18 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ GPR139 Q6DWJ6 2/20 0.31
▸ SLC9A1 P19634 2/20 0.30

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
SCHEMBL23361234 0.83 NPC1 (0.43) NPC1RAB9ASLC5A2MEN1KMT2A
SCHEMBL23370326 0.82 ADORA2A (0.35) KDRMAPK14TNNI3KALDH1A1
SCHEMBL23370324 0.80 ALDH1A1 (0.34) KDRMAPK14TNNI3KALDH1A1
SCHEMBL24854026 0.76 NPC1 (0.37) NPC1RAB9ASLC5A2POLBMEN1
SCHEMBL29808506 0.71 KDR (0.36) NPC1RAB9AKDRMAPK14TNNI3K
SCHEMBL23247716 0.71 KDR (0.36) NPC1RAB9AKDRMAPK14TNNI3K
SCHEMBL24786607 0.71 SCN9A (0.36) KDRMAPK14TNNI3KPOLBALDH1A1
SCHEMBL23370307 0.70 NPC1 (0.36) NPC1RAB9ASLC5A2MEN1KMT2A
SCHEMBL24854151 0.70 KCNMA1 (0.38) NPC1RAB9AMEN1KMT2ASLC9A1
SCHEMBL12825945 0.64 KEAP1 (0.51) NPC1RAB9AKDRMAPK14TNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002357-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2023-01-05 — — US disclosed
WO-2021094416-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-05-20 — — 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-20230002357-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES AZI2, PDXK, DPYD NPC1 4415/4885RAB9A 2838/4885SLC5A2 781/4885

“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.

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