SCHEMBL3609469

SCHEMBL3609469

CCN(CC)CCOc1ccc(N=C=S)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 3/20 0.54
SIGMAR1 Q99720 3/20 0.54
HTT P42858 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 1/20 0.53
LTA4H P09960 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MCHR1 Q99705 1/20 0.52
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
CHRNA7 P36544 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.47
SMARCA2 P51531 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNH2 Q12809 2/20 0.46
ESR1 P03372 2/20 0.46
CHRM2 P08172 2/20 0.46

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
SCHEMBL6181597 0.86 EBP (0.53) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL631842 0.83 HRH3 (0.54) CYP2D6CYP1A2LTA4HCYP2C9CYP2C19
SCHEMBL13184915 0.83 EBP (0.57) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL9706125 0.82 EBP (0.72) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL9362384 0.81 CYP2C9 (0.51) CYP2D6CYP1A2LTA4HCYP2C9CYP2C19
SCHEMBL3597778 0.79 KDM4E (0.59) CYP2D6CYP1A2LTA4HCYP2C9CYP2C19
SCHEMBL19143995 0.77 EBP (0.54) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL19127377 0.77 EBP (0.54) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL631317 0.77 NQO1 (0.58) CYP2D6CYP1A2LTA4HKMT2AMAPT
SCHEMBL29380710 0.77 SCN1A (0.63) SIGMAR1CYP2D6CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687285-B1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS NOVARTIS AG (CH) 2014-03-05 EP disclosed
US-7795288-B2 Thiazole and pyrazole derivatives as Flt-3 kinase inhibitors NOVARTIS AG (CH) 2010-09-14 US disclosed
US-20070167449-A1 Thiazole and pyrazole derivatives as flt-3 kinase inhibitors NOVARTIS PHARMA AG (CH) 2007-07-19 US disclosed
EP-1687285-A1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS Novartis AG (CH) 2006-08-09 EP disclosed
EP-1507530-B1 DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
WO-2005047273-A1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS NOVARTIS AG (CH) 2005-05-26 WO disclosed
US-6818663-B2 AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS HOFFMANN-LA ROCHES 2004-11-16 US disclosed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 US disclosed
EP-0093515-B1 TRICYCLIC TRIAZINO COMPOUNDS, THEIR USE AND FORMULATION AS PHARMACEUTICALS AND PROCESSES FOR THEIR PRODUCTION FISONS plc (GB) 1987-01-21 EP disclosed
US-4499269-A IMMUNO-REGULANT, SKIN DISORDERS, ANTITUMOR AGENTS FISONS PLC (GB) 1985-02-12 US disclosed
EP-0093515-A1 Tricyclic triazino compounds, their use and formulation as pharmaceuticals and processes for their production FISONS plc (GB) 1983-11-09 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 (2 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-20070167449-A1 Thiazole and pyrazole derivatives as flt-3 kinase inhibitors FLT3, FLT1, FLT4 EBP 2475/4885SIGMAR1 2993/4885HTT 1459/4885
US-20040006058-A1 DIAMINOTHIAZOLES CDK4, CDK1, CDK2 EBP 3622/4885SIGMAR1 4105/4885HTT 4694/4885

“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.