SCHEMBL4175164

SCHEMBL4175164

CCCc1nc(=O)n2ncc(CCC(=O)Nc3ccc(C(=O)[O-])cc3)c2[nH]1.[Na+]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TNKS O95271 7/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL4160554 0.87 PARP1 (0.36) RECQLSMN1; SMN2MAPTPARP1ALDH1A1
SCHEMBL4175175 0.86 L3MBTL1 (0.37) RECQLSMN1; SMN2MAPTPARP1ALDH1A1
SCHEMBL4170513 0.85 SMN1; SMN2 (0.35) RECQLSMN1; SMN2MAPTPARP1ALDH1A1
SCHEMBL4173932 0.81 MAPT (0.35) RECQLSMN1; SMN2MAPTPARP1ALDH1A1
SCHEMBL4160565 0.75 PARP1 (0.34) RECQLSMN1; SMN2MAPTPARP1ALDH1A1
SCHEMBL4158588 0.74 MAPT (0.37) SMN1; SMN2MAPTALDH1A1HPGDTSHR
SCHEMBL4170523 0.73 TP53 (0.33) RECQLSMN1; SMN2MAPTPARP1ALDH1A1
SCHEMBL4173946 0.73 MAPT (0.35) SMN1; SMN2MAPTPARP1ALDH1A1HPGD
SCHEMBL4175170 0.72 MAPT (0.37) SMN1; SMN2MAPTALDH1A1TSHRL3MBTL1
SCHEMBL6449270 0.71 CYP1A2 (0.38) SMN1; SMN2MAPTALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2009-04-23 US claimed
US-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2006-05-18 US claimed
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2009-04-23 US disclosed
US-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2006-05-18 US 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 (2 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-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same PMP22, BDNF, GRIK5 RECQL 2106/4885SMN1; SMN2 5/4885MAPT 131/4885
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same BDNF, NTRK2, NGF RECQL 4630/4885SMN1; SMN2 411/4885MAPT 1185/4885

“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.