SCHEMBL6598450

SCHEMBL6598450

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
PPARD Q03181 1/20 0.36
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
DAO P14920 1/20 0.34
SORT1 Q99523 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
GALR3 O60755 1/20 0.34
AGTR1 P30556 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6598453 1.00 LMNA (0.43) LMNANPSR1ALDH1A1MAPTHPGD
SCHEMBL6598443 0.84 RPS6KA3 (0.47) LMNANPSR1ALDH1A1MAPTHPGD
SCHEMBL6598444 0.84 RPS6KA3 (0.47) LMNANPSR1ALDH1A1MAPTHPGD
SCHEMBL6599217 0.83 KMT2A (0.42) LMNANPSR1ALDH1A1MAPTHPGD
SCHEMBL3186276 0.80 VNN1 (0.39) LMNANPSR1KMT2AMEN1DAO
SCHEMBL3186266 0.80 VNN1 (0.39) LMNANPSR1KMT2AMEN1DAO
SCHEMBL6600003 0.79 NPSR1 (0.45) LMNANPSR1ALDH1A1MAPTHPGD
SCHEMBL6600004 0.79 NPSR1 (0.45) LMNANPSR1ALDH1A1MAPTHPGD
SCHEMBL6600122 0.78 MAPK1 (0.38) NPSR1KMT2AMEN1USP2DAO
SCHEMBL6600125 0.78 MAPK1 (0.38) NPSR1KMT2AMEN1USP2DAO

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 LMNA 2322/4885NPSR1 407/4885ALDH1A1 579/4885

“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.