SCHEMBL28600044

SCHEMBL28600044

Cc1nc(Nc2nc(C)c3ccc(OP(=O)([O-])[O-])cc3n2)[nH]c(=O)c1C.[Na+].[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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.75
ALDH1A1 P00352 8/20 0.75
RAB9A P51151 4/20 0.75
LMNA P02545 3/20 0.75
NPC1 O15118 2/20 0.75
HTT P42858 2/20 0.75
KMT2A Q03164 2/20 0.75
NPSR1 Q6W5P4 2/20 0.75
XBP1 P17861 1/20 0.75
CLK1 P49759 1/20 0.75
TDP2 O95551 1/20 0.62
STAT3 P40763 3/20 0.54
MITF O75030 1/20 0.49
PAX8 Q06710 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
USP2 O75604 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.46
AURKA O14965 1/20 0.46
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL28595390 0.90 MAPT (0.75) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL28600039 0.89 MAPT (0.74) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL19385517 0.86 MAPT (1.00) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL21964225 0.82 MAPT (0.70) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL15840789 0.81 ALDH1A1 (0.74) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL22013244 0.79 ALDH1A1 (0.71) MAPTALDH1A1RAB9ALMNANPC1
Phosphoric Acid SCHEMBL31320273 0.79 MAPT (0.65) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL31320231 0.78 ALDH1A1 (0.70) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL28603098 0.78 ALDH1A1 (0.70) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL21964142 0.74 RAB9A (0.63) MAPTALDH1A1RAB9ALMNANPC1

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-12213978-B2 Madrasin-derivative compounds, composition and uses thereof for treating cancer INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2025-02-04 US claimed
CN-113226323-A Madricin derivative compounds, compositions and uses thereof for treating cancer 法国古士塔柏罗斯学院 2021-08-06 CN claimed
US-12213978-B2 Madrasin-derivative compounds, composition and uses thereof for treating cancer INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2025-02-04 US disclosed
CN-113226323-A Madricin derivative compounds, compositions and uses thereof for treating cancer 法国古士塔柏罗斯学院 2021-08-06 CN 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-12213978-B2 Madrasin-derivative compounds, composition and uses thereof for treating cancer PTPRS, PTMS, PTPRC MAPT 1578/4885ALDH1A1 1922/4885RAB9A 1993/4885

“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.