SCHEMBL7250243

SCHEMBL7250243

Cn1nc(C(F)(F)F)cc1Oc1cccc(-c2cc(C(F)(F)F)nn2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
PTGS1 P23219 2/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TGFBR1 P36897 1/20 0.38
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 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
SCHEMBL7256400 0.84 ADORA2A (0.44) ADORA2AADORA1GABRA1GABRG2GABRB3
SCHEMBL5553184 0.83 ADORA2A (0.49) ADORA2AADORA1KMT2ARAB9ANPC1
SCHEMBL7953446 0.82 KMT2A (0.50) ADORA2AADORA1KMT2ARAB9ANPC1
SCHEMBL8569411 0.80 ADORA2A (0.41) ADORA2AADORA1KMT2AALDH1A1HDAC4
SCHEMBL8571130 0.80 ADORA2A (0.41) ADORA2AADORA1GABRA1GABRG2GABRB3
SCHEMBL7249245 0.79 GAA (0.41) GABRA1GABRG2GABRB3GABRA3KMT2A
SCHEMBL6613269 0.79 ADORA2A (0.46) ADORA2AADORA1KMT2AALDH1A1TGFBR1
SCHEMBL6613296 0.79 ADORA2A (0.48) ADORA2AADORA1KMT2ARAB9ANPC1
SCHEMBL7245294 0.78 SCN9A (0.40) ADORA2AADORA1KMT2ARAB9ANPC1
SCHEMBL8571955 0.78 ADORA2A (0.39) ADORA2AADORA1GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6528456-B2 Selectivity, desirable rate of degradation in soil BASF AKTIENGESELLSCHAFT (DE) 2003-03-04 US disclosed
US-20020137633-A1 Herbicidal 2-pyrazolyl-6-aryloxypyri(mi)dines BASF AKTIENEGESELLSCHAFT (DE) 2002-09-26 US disclosed
EP-1108720-A9 Herbicidal 2-Pyrazolyl-6-Aryloxy-Pyri(mi)dines BASF AKTIENGESELLSCHAFT (DE) 2001-10-31 EP disclosed
EP-1108720-A1 Herbicidal 2-Pyrazolyl-6-Aryloxy-Pyri(mi)dines BASF AKTIENGESELLSCHAFT (DE) 2001-06-20 EP 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-20020137633-A1 Herbicidal 2-pyrazolyl-6-aryloxypyri(mi)dines DDT, CYP4X1, PRDX6 ADORA2A 2349/4885ADORA1 747/4885GABRA1 1557/4885

“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.