SCHEMBL7698239

SCHEMBL7698239

CCOC(=O)Cn1nc(I)c2c(N)ncnc21.[H-].[Na+]

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
XDH known ✓ P47989 1/20 0.43
SRC P12931 2/20 0.48
DYRK3 O43781 2/20 0.44
JAK2 O60674 2/20 0.44
CDK1 P06493 2/20 0.44
ROS1 P08922 2/20 0.44
RPS6KB1 P23443 2/20 0.44
CDK2 P24941 2/20 0.44
CSNK1A1 P48729 2/20 0.44
CSNK1D P48730 2/20 0.44
CLK2 P49760 2/20 0.44
IRAK1 P51617 2/20 0.44
CDK5 Q00535 2/20 0.44
DYRK1A Q13627 2/20 0.44
NTRK3 Q16288 2/20 0.44
SLK Q9H2G2 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
MAPK1 P28482 2/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44

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
SCHEMBL5804167 0.98 SRC (0.49) SRCDYRK3JAK2CDK1ROS1
SCHEMBL7698237 0.96 SRC (0.48) SRCDYRK3JAK2CDK1ROS1
SCHEMBL17853712 0.79 HDAC1 (0.46) SRCLCKKDRPIK3CGEGFR
SCHEMBL16701727 0.78 KDR (0.44) SRCDYRK3JAK2CDK1ROS1
SCHEMBL14471393 0.78 SRC (0.73) SRCLCKFYNPIK3CGEGFR
SCHEMBL868744 0.76 PIK3CD (0.51) SRCDYRK3JAK2CDK1ROS1
SCHEMBL17936089 0.75 SRC (0.39) SRCDYRK3JAK2CDK1ROS1
SCHEMBL6436880 0.75 SRC (0.43) SRCDYRK3JAK2CDK1ROS1
SCHEMBL18641905 0.74 SRC (0.63) SRCDYRK3JAK2CDK1ROS1
SCHEMBL4572201 0.74 RET (0.48) SRCDYRK3JAK2CDK1ROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 XDH 484/4885SRC 1834/4885DYRK3 1944/4885

“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.