SCHEMBL6330638

SCHEMBL6330638

Cc1cc(Br)nc(Oc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
TGFBR1 P36897 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR119 Q8TDV5 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31

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
SCHEMBL6280223 0.90 ADORA2A (0.50) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL5553159 0.84 KMT2A (0.50) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL6281252 0.84 ADORA2A (0.46) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL6950881 0.82 ADORA2A (0.44) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL6325702 0.81 KMT2A (0.42) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL8692415 0.81 KMT2A (0.42) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL8727020 0.80 ALDH1A1 (0.42) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL6281244 0.79 ADORA2A (0.50) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL6954140 0.78 ADORA2A (0.42) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL5835009 0.78 ADORA2A (0.46) KMT2AADORA2AADORA1TGFBR1ALDH1A1

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
US-6872690-B2 Herbicidal 2-alkynyl-pyri (mi) dines WYETH (US) 2005-03-29 US disclosed
EP-0923571-B1 TRISUBSTITUTED PYRIDINE COMPOUNDS FOR HERBICIDAL USE BASF AG (DE) 2003-06-18 EP disclosed
US-20030073581-A1 Herbicidal 2-alkynyl-pyri (mi) dines WYETH 2003-04-17 US disclosed
EP-1238586-A1 Herbicidal 2-alkynyl-pyri(mi)dines BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 EP 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-20030073581-A1 Herbicidal 2-alkynyl-pyri (mi) dines DDT, AOX1, RIOX2 KMT2A 1361/4885ADORA2A 2200/4885ADORA1 858/4885

“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.