SCHEMBL4494844

SCHEMBL4494844

CSc1ncc(C(=O)[O-])c(Nc2ccc(Oc3ccnc(C(N)=O)c3)c(F)c2)n1.[Na+]

nearest known ligand 0.60

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 10)

geneUniProtsupporting neighboursconfidence
SYK known ✓ P43405 1/20 0.39
MET P08581 9/20 0.60
KDR P35968 1/20 0.44
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
AXL P30530 1/20 0.42
HIPK4 Q8NE63 1/20 0.41
P2RX3 P56373 6/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL13816015 0.92 MET (0.62) METKDRMAPK1HTTAXL
SCHEMBL4482808 0.88 MAPK1 (0.59) METKDRMAPK1HTTAXL
SCHEMBL4484451 0.85 MET (0.83) METKDRMAPK1HTTAXL
SCHEMBL4492034 0.75 MET (1.00) METMAPK1HTTHIPK4MAPT
SCHEMBL1472350 0.72 MET (0.59) METKDRAXL
SCHEMBL1471976 0.72 MET (0.53) METKDRMAPK1HTTAXL
SCHEMBL4495034 0.72 MET (0.55) METKDRAXLP2RX3LMNA
SCHEMBL4481335 0.72 MET (0.64) METKDRAXLMAPT
SCHEMBL1137376 0.72 KDR (0.64) METKDRAXLHIPK4P2RX3
SCHEMBL14543416 0.71 MET (0.64) METKDRAXLMAPT

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
EP-1937682-B1 MET KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
US-7547782-B2 Met kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-16 US disclosed
EP-1937682-A1 MET KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-07-02 EP disclosed
WO-2007041379-A1 MET KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO disclosed
US-20070078140-A1 MET kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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 (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-20070078140-A1 MET kinase inhibitors MET, ABL1, ERBB2 SYK 353/4885MET 1/4885KDR 129/4885

“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.