SCHEMBL23925372

SCHEMBL23925372

[Na+].[Na+].[O-]c1nc2ncnn2c([O-])c1-c1ccccc1

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 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
MDM2 Q00987 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
ENPP1 P22413 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
AURKA O14965 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36

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
SCHEMBL868954 0.70 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL868326 0.70 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL8116814 0.70 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL14265636 0.70 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL14375957 0.69 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL23925371 0.69 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL8117996 0.68 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL5229531 0.68 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL14506996 0.68 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL10372114 0.68 NPC1 (0.56) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-01 US disclosed
EP-4136089-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES The Trustees of The University of Pennsylvania (US) 2023-02-22 EP disclosed
WO-2021211408-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-10-21 WO 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-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES MAPT, TUBA4A, MAP4 KDM4E 2730/4885ALDH1A1 2113/4885SMN1; SMN2 27/4885

“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.