SCHEMBL6281244

SCHEMBL6281244

Cn1nc(C(F)(F)F)cc1Oc1cc(Oc2cc(C(F)(F)F)nn2C)nc(Oc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
KMT2A Q03164 1/20 0.49
TGFBR1 P36897 3/20 0.45
ALDH1A1 P00352 2/20 0.41
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX5 P09917 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 2/20 0.33
PKM P14618 1/20 0.33
SCN9A Q15858 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
LOX P28300 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
SCHEMBL5547806 0.91 KMT2A (0.50) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL6280223 0.88 ADORA2A (0.50) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL6950881 0.85 ADORA2A (0.44) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL5227796 0.84 KMT2A (0.51) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL8478285 0.84 ADORA2A (0.47) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL8475741 0.82 ADORA2A (0.46) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL8932244 0.82 KMT2A (0.48) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL5221402 0.79 KMT2A (0.47) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL6281252 0.79 ADORA2A (0.46) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL7467818 0.79 KMT2A (0.50) ADORA2AADORA1KMT2ATGFBR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852673-B2 Herbicidal pyridine compounds BASF AKTIENGESELLSCHAFT (DE) 2005-02-08 US disclosed
EP-0923571-B1 TRISUBSTITUTED PYRIDINE COMPOUNDS FOR HERBICIDAL USE BASF AG (DE) 2003-06-18 EP disclosed
US-20020198381-A1 Herbicidal pyridine compounds INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) 2002-12-26 US disclosed
US-6420315-B1 5-THIEN-3-YL-2-OXY- OR -2-THIO-PYRIDINES; HIGH SELECTIVITY FOR BROADLEAF AND GRASSY WEEDS IN CROPS, SUCH AS MAIZE AND RICE; PRE- AND POST-EMERGENCE BASF AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
US-6130188-A Herbicidal pyridine compounds AMERICAN CYANAMID COMPANY (US) 2000-10-10 US disclosed
EP-0955300-A2 Herbicidal pyridine compounds American Cyanamid Company (US) 1999-11-10 EP disclosed
US-5922738-A Heteroarylpyridine herbicides AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed
EP-0923571-A2 TRISUBSTITUTED PYRIDINE COMPOUNDS FOR HERBICIDAL USE AMERICAN CYANAMID COMPANY (US) 1999-06-23 EP disclosed
WO-1998004548-A2 TRISUBSTITUTED PYRIDINE COMPOUNDS FOR HERBICIDAL USE AMERICAN CYANAMID COMPANY (US) 1998-02-05 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-20020198381-A1 Herbicidal pyridine compounds HAX1, CYP4X1, PRDX1 ADORA2A 1742/4885ADORA1 365/4885KMT2A 835/4885

“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.