SCHEMBL4462154

SCHEMBL4462154

CN1C=NCC1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.50

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 4/20 0.50
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 3/20 0.41
POLB P06746 1/20 0.40
SNCA P37840 1/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL4072713 0.81 CYP2D6 (0.45) CYP2D6ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL5068661 0.76 GAA (0.62) CYP2D6ALDH1A1HTTSMN1; SMN2KDM4E
P-Xylene SCHEMBL8660591 0.76 GAA (0.62) CYP2D6ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL1705904 0.76 GAA (0.62) CYP2D6ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL34 0.76 GAA (0.62) CYP2D6ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL29991938 0.76 GAA (0.62) CYP2D6ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL11432043 0.76 GAA (0.62) CYP2D6ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL31313 0.76 GAA (0.62) CYP2D6ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL27831752 0.76 CYP2D6 (0.51) CYP2D6ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL7635097 0.75 CYP2D6 (0.53) CYP2D6ALDH1A1HTTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498433-B2 Process and intermediates for the preparation of olanzapine KRKA, TOVARNA ZDRAVIL, D.D. (SI) 2009-03-03 US disclosed
EP-1594879-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF OLANZAPINE KRKA TOVARNA ZDRAVIL D D NOVO (SI) 2008-10-22 EP disclosed
US-20060040921-A1 Process and intermediates for the preparation of olanzapine KRKA, TOVARNA ZDRAVIL D.D. (SI) 2006-02-23 US disclosed
EP-1594879-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF OLANZAPINE KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2005-11-16 EP disclosed
WO-2004065390-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF OLANZAPINE KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2004-08-05 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-20060040921-A1 Process and intermediates for the preparation of olanzapine CYP4F11, CYP4A11, CYP3A4 CYP2D6 51/4885ALDH1A1 769/4885HTT 652/4885

“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.