SCHEMBL7490964

SCHEMBL7490964

CC(C)NC(=N)N.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
CYP2D6 P10635 2/20 0.54
MAPK1 P28482 1/20 0.54
SNCA P37840 1/20 0.42
PRSS1 P07477 4/20 0.41
F2 P00734 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 3/20 0.41

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
Pimagedine SCHEMBL1551679 0.83 CYP2D6 (0.55) CYP2D6MAPK1SNCAPRSS1F2
Biguanide SCHEMBL27660583 0.83 CYP2D6 (0.55) CYP2D6MAPK1SNCAPRSS1F2
Hydroxyguanidine SCHEMBL13673553 0.83 CYP2D6 (0.55) CYP2D6MAPK1SNCAPRSS1F2
Guanidine SCHEMBL811270 0.82 CYP2D6 (0.61) CYP2D6MAPK1SNCAPRSS1F2
SCHEMBL3884567 0.80 CYP2D6 (0.55) CYP2D6MAPK1SNCAPRSS1F2
SCHEMBL2259114 0.79 SNCA (0.49) CYP2D6MAPK1SNCACYP1A2CYP3A4
Thiourea SCHEMBL1577311 0.79 CYP2D6 (0.58) CYP2D6MAPK1SNCAPRSS1F2
Isopropylamine SCHEMBL2350740 0.79 CYP2D6 (0.53) CYP2D6MAPK1SNCAPRSS1F2
Isobutyramide SCHEMBL6491554 0.78 CYP2D6 (0.53) CYP2D6MAPK1SNCAPRSS1F2
SCHEMBL1274859 0.77 CYP2D6 (0.51) CYP2D6MAPK1SNCAPRSS1F2

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-20020119969-A1 Novel process NOVO NORDISK A/S (DK) 2002-08-29 US disclosed
EP-1194430-A1 NOVEL PROCESS NOVO NORDISK A/S (DK) 2002-04-10 EP disclosed
WO-2001002410-A1 NOVEL PROCESS NOVO NORDISK A/S (DK) 2001-01-11 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-20020119969-A1 Novel process CYP3A5, CYP4F2, CYP4F12 CYP2D6 20/4885MAPK1 2799/4885SNCA 3630/4885

“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.