SCHEMBL3492895

SCHEMBL3492895

Cc1c(C(=O)[O-])sc2nc(Cc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12.[Na+]

nearest known ligand 0.53

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
RNASEH1 O60930 1/20 0.51
KMT2A Q03164 8/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 5/20 0.47
MAPT P10636 6/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIP4K2A P48426 1/20 0.46
LMNA P02545 1/20 0.45
KCNH2 Q12809 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
PLEC Q15149 1/20 0.44
PDE5A O76074 1/20 0.44
PSMD14 O00487 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3491664 0.89 RNASEH1 (0.58) RNASEH1KMT2AALDH1A1KDM4EMEN1
SCHEMBL38376 0.88 RNASEH1 (0.52) RNASEH1KMT2AALDH1A1KDM4EMEN1
SCHEMBL3492896 0.88 RNASEH1 (0.57) RNASEH1KMT2AALDH1A1KDM4EMEN1
SCHEMBL21504938 0.86 KMT2A (0.58) RNASEH1KMT2AALDH1A1KDM4EMEN1
SCHEMBL3492213 0.86 PDE5A (0.60) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL4514505 0.85 KMT2A (0.65) RNASEH1KMT2AALDH1A1KDM4EMEN1
SCHEMBL37691 0.83 MAPT (0.50) RNASEH1KMT2AALDH1A1KDM4EMEN1
SCHEMBL46037 0.83 MAPT (0.50) RNASEH1KMT2AALDH1A1KDM4EMEN1
SCHEMBL3494842 0.82 MAPT (0.58) RNASEH1KMT2AALDH1A1KDM4EMEN1
SCHEMBL16175762 0.81 RNASEH1 (0.54) RNASEH1KMT2AALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908765-B1 THIENOPYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2014-10-22 EP disclosed
US-8377944-B2 Thienopyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-02-19 US disclosed
US-20130023546-A1 THIENOPYRIMIDINE DERIVATIVES GOTANDA KOTARO (JP) 2013-01-24 US disclosed
US-8293754-B2 Thienopyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20100113484-A1 TREATING AGENT OF UROPATHY ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 US disclosed
EP-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP disclosed
US-20090203703-A1 Thienopyrimidine Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 US disclosed
EP-1908765-A1 THIENOPYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2008-04-09 EP 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-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD RNASEH1 974/4885KMT2A 2820/4885ALDH1A1 762/4885
US-20130023546-A1 THIENOPYRIMIDINE DERIVATIVES PDE9A, BPHL, THOP1 RNASEH1 813/4885KMT2A 2650/4885ALDH1A1 2303/4885
US-20090203703-A1 Thienopyrimidine Derivatives PDE9A, BPHL, THOP1 RNASEH1 813/4885KMT2A 2650/4885ALDH1A1 2303/4885

“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.