SCHEMBL6599217

SCHEMBL6599217

O=C(Cc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PPARD Q03181 1/20 0.42
SORT1 Q99523 1/20 0.40
RPS6KA3 P51812 1/20 0.39
P2RX7 Q99572 1/20 0.38
DAO P14920 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 3/20 0.37
GLA P06280 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PIK3CA P42336 1/20 0.36

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
SCHEMBL6598450 0.83 LMNA (0.43) KMT2AMEN1PPARDSORT1P2RX7
SCHEMBL6598453 0.83 LMNA (0.43) KMT2AMEN1PPARDSORT1P2RX7
SCHEMBL3195037 0.79 RAB9A (0.56) KMT2AMEN1L3MBTL1
SCHEMBL6598585 0.77 MRGPRX4 (0.44) KMT2AMEN1DAOL3MBTL1SMN1; SMN2
SCHEMBL8298172 0.75 RAB9A (0.55) KMT2APPARDL3MBTL1MAPTNPSR1
SCHEMBL5796374 0.72 AKR1B1 (0.46) KMT2AMEN1P2RX7HPGDALDH1A1
SCHEMBL19555418 0.72 KMT2A (0.54) KMT2APPARDDAOTRPM8SMN1; SMN2
SCHEMBL23755069 0.70 HPGD (0.46) KMT2AMEN1P2RX7L3MBTL1SMN1; SMN2
SCHEMBL2309516 0.70 KMT2A (0.62) KMT2ADAOL3MBTL1ALDH1A1LMNA
SCHEMBL6795839 0.70 KMT2A (0.53) KMT2APPARDDAOL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756498-B2 REARRANGEMENT OF AZIRINE COMPOUND OR PROTECTED DERIVATIVE THEREOF IN PRESENCE OF TRANSITION METAL CATALYST AND SOLVENT TO PRODUCE PYRAZOLOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2004-06-29 US disclosed
EP-1276742-B1 PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-06-09 EP disclosed
US-20030212275-A1 PROCESS FOR THE PREPARATION OF CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2003-11-13 US disclosed
EP-1276742-A2 PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-01-22 EP disclosed
WO-2001083479-A2 PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-11-08 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-20030212275-A1 PROCESS FOR THE PREPARATION OF CHEMICAL COMPOUNDS CBR1, C1R, CBR3 KMT2A 2130/4885MEN1 1248/4885PPARD 4197/4885

“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.