SCHEMBL6598585

SCHEMBL6598585

O=C(Cc1ccc(C(F)(F)F)cn1)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
MTOR P42345 1/20 0.43
HPGDS O60760 1/20 0.43
KMT2A Q03164 4/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
USP2 O75604 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
SRC P12931 1/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL3441616 0.86 L3MBTL1 (0.52) MRGPRX4MTORKMT2AMAPK1RAB9A
SCHEMBL3195037 0.83 RAB9A (0.56) KMT2ARAB9ACES2CES1MEN1
SCHEMBL6600122 0.82 MAPK1 (0.38) MRGPRX4MTORHPGDSKMT2AMAPK1
SCHEMBL6600125 0.82 MAPK1 (0.38) MRGPRX4MTORHPGDSKMT2AMAPK1
SCHEMBL6599217 0.77 KMT2A (0.42) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL8298172 0.77 RAB9A (0.55) KMT2ARAB9ANPC1MAPTL3MBTL1
SCHEMBL4051434 0.74 RAB9A (0.48) KMT2ARAB9ACES2CES1CTNNB1
SCHEMBL19555418 0.74 KMT2A (0.54) MRGPRX4KMT2ARAB9AKDM4ENPC1
SCHEMBL3282343 0.72 CES2 (0.54) MRGPRX4KMT2ACES2CTNNB1WNT3A
SCHEMBL2309516 0.72 KMT2A (0.62) KMT2AMAPK1RAB9AKDM4ENPC1

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 MRGPRX4 1737/4885MTOR 3690/4885HPGDS 3033/4885

“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.