SCHEMBL6598444

SCHEMBL6598444

ON=C(Cc1ccc(C(F)(F)F)cn1)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.47
HCRTR1 O43613 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
P2RX7 Q99572 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
DRD4 P21917 1/20 0.37
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GLA P06280 1/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL6598443 1.00 RPS6KA3 (0.47) RPS6KA3HCRTR1KMT2AL3MBTL1P2RX7
SCHEMBL6598453 0.84 LMNA (0.43) KMT2AP2RX7NPSR1HPGDLMNA
SCHEMBL6598450 0.84 LMNA (0.43) KMT2AP2RX7NPSR1HPGDLMNA
SCHEMBL6600278 0.81 KDM1A (0.42) KMT2AHPGDLMNAALDH1A1MAPT
SCHEMBL6600282 0.81 KDM1A (0.42) KMT2AHPGDLMNAALDH1A1MAPT
SCHEMBL6599282 0.78 NPSR1 (0.43) KMT2AL3MBTL1NPSR1HPGDLMNA
SCHEMBL6599285 0.78 NPSR1 (0.43) KMT2AL3MBTL1NPSR1HPGDLMNA
SCHEMBL6601782 0.78 NPSR1 (0.41) L3MBTL1NPSR1HPGDLMNAALDH1A1
SCHEMBL6601785 0.78 NPSR1 (0.41) L3MBTL1NPSR1HPGDLMNAALDH1A1
SCHEMBL6600004 0.77 NPSR1 (0.45) KMT2ANPSR1HPGDLMNAALDH1A1

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 RPS6KA3 1015/4885HCRTR1 229/4885KMT2A 2130/4885

“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.