SCHEMBL4847425

SCHEMBL4847425

CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)[O-])c(Cc3ccnc4ccccc34)sc21.[Na+]

nearest known ligand 0.75

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 7)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 20/20 0.75
CYP2C9 P11712 11/20 0.71
CYP3A4 P08684 8/20 0.71
SLC16A7 O60669 1/20 0.70
MAPKAPK2 P49137 1/20 0.50
CAMK2B Q13554 1/20 0.50
HIPK4 Q8NE63 1/20 0.50

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
SCHEMBL3826715 0.94 SLC16A1 (0.72) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL4799350 0.90 SLC16A1 (0.62) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL3828189 0.90 SLC16A1 (0.61) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL5094499 0.88 SLC16A1 (0.60) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL4797225 0.88 SLC16A1 (0.59) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL3828070 0.87 SLC16A1 (0.72) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL4806131 0.87 SLC16A1 (0.60) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL4796666 0.86 SLC16A1 (0.70) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL3829554 0.85 SLC16A1 (0.74) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL4803579 0.85 SLC16A1 (0.56) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2

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-20080153855-A1 Thieno[2,3-d]pyrimidinedione derivatives; antiproliferative agents against T-cells; chronic obstructive pulmonary disease, asthma; immunosuppressants, antihistamines, bronchodilator agents, and anticarcinogenic agents ASTRAZENECA AB, A SWEDEN CORPORATION 2008-06-26 US disclosed
US-7384950-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
EP-1412362-B1 THIENO¬2,3-d|PYRIMIDINEDIONES AS INHIBITORS OF T-CELLS PROLIFERATION ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 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-20080153855-A1 Thieno[2,3-d]pyrimidinedione derivatives; antiproliferative agents against T-cells; chronic obstructive pulmonary disease, asthma; immunosuppressants, antihistamines, bronchodilator agents, and anticarcinogenic agents HRH4, HRH2, HRH3 SLC16A1 4716/4885CYP2C9 682/4885CYP3A4 397/4885
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 SLC16A1 3284/4885CYP2C9 89/4885CYP3A4 93/4885

“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.