SCHEMBL222630

SCHEMBL222630

c1cncc(-c2ccc3scnc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
PIK3CA P42336 2/20 0.49
PIK3CD O00329 1/20 0.49
PIP5K1C O60331 1/20 0.49
PI4KA P42356 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
CYP2A6 P11509 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
RIPK2 O43353 1/20 0.48
EGFR P00533 1/20 0.48
KDR P35968 1/20 0.48
TGFBR1 P36897 1/20 0.48
DYRK1A Q13627 4/20 0.48
DYRK1B Q9Y463 3/20 0.48
QPCT Q16769 1/20 0.48
QPCTL Q9NXS2 1/20 0.48
DYRK2 Q92630 1/20 0.48
CYP11B1 P15538 4/20 0.47

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
SCHEMBL28175320 0.87 PIK3CA (0.56) NAMPTPIK3CAPIK3CDPIP5K1CPI4KA
SCHEMBL28048502 0.82 ALDH1A1 (0.54) PIK3CDALDH1A1RIPK2EGFRKDR
SCHEMBL3305158 0.81 RIPK2 (0.48) NAMPTPIK3CDALDH1A1RIPK2EGFR
SCHEMBL1421337 0.81 NPC1 (0.60) ALDH1A1
SCHEMBL927048 0.81 RIPK2 (0.60) PIK3CAPIK3CDPI4KAPI4KBALDH1A1
SCHEMBL29478085 0.81 RIPK2 (0.60) PIK3CAPIK3CDPI4KAPI4KBALDH1A1
SCHEMBL31514554 0.80 RIPK2 (0.66) CYP1A2CYP3A4RIPK2EGFRKDR
SCHEMBL16183472 0.78 CYP1A2 (0.58) ALDH1A1CYP1A2CYP3A4RIPK2EGFR
SCHEMBL25072460 0.77 PIK3CD (0.51) NAMPTPIK3CAPIK3CDPI4KAPI4KB
SCHEMBL3306723 0.76 CYP11B1 (0.44) PIK3CAPIK3CDALDH1A1RIPK2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081800-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-11 WO disclosed
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
EP-2034997-A1 ANTIBACTERIAL COMPOSITIONS Prolysis Limited (GB) 2009-03-18 EP disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 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 (3 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-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 NAMPT 2828/4885PIK3CA 4048/4885PIK3CD 3480/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 NAMPT 2928/4885PIK3CA 3650/4885PIK3CD 2792/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 NAMPT 2860/4885PIK3CA 4048/4885PIK3CD 3463/4885

“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.