SCHEMBL6600282

SCHEMBL6600282

ON=C(Cc1ccc(C(F)(F)F)cn1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
RAB9A P51151 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.36
DAO P14920 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PPARD Q03181 1/20 0.36
TRPV3 Q8NET8 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
SCHEMBL6600278 1.00 KDM1A (0.42) KDM1AMAOAMAOBRAB9AMRGPRX4
SCHEMBL3186276 0.87 VNN1 (0.39) KDM1AMAOAMAOBRAB9AKMT2A
SCHEMBL3186266 0.87 VNN1 (0.39) KDM1AMAOAMAOBRAB9AKMT2A
SCHEMBL6600122 0.85 MAPK1 (0.38) KDM1AMAOAMAOBMRGPRX4KMT2A
SCHEMBL6600125 0.85 MAPK1 (0.38) KDM1AMAOAMAOBMRGPRX4KMT2A
SCHEMBL6601782 0.84 NPSR1 (0.41) RAB9AMRGPRX4NPC1GLAHPGD
SCHEMBL3441832 0.84 CTSL (0.42) MRGPRX4KMT2AALDH1A1MAPTMAPK1
SCHEMBL3441829 0.84 CTSL (0.42) MRGPRX4KMT2AALDH1A1MAPTMAPK1
SCHEMBL6601785 0.84 NPSR1 (0.41) RAB9AMRGPRX4NPC1GLAHPGD
SCHEMBL6599285 0.82 NPSR1 (0.43) KMT2AGLAHPGDALDH1A1MAPT

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 KDM1A 581/4885MAOA 791/4885MAOB 508/4885

“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.