SCHEMBL1883437

SCHEMBL1883437

CN(C)CCOc1ccc(NC(N)=S)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.59
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
CYP2C19 P33261 1/20 0.54
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
MAPT P10636 4/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGES O14684 1/20 0.50
LTA4H P09960 2/20 0.49
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
NR1I2 O75469 1/20 0.46
PRKD3 O94806 1/20 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
SCHEMBL3427559 0.92 ALDH1A1 (0.54) HRH3ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL18974764 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL6711583 0.80 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL3428651 0.79 PTGES (0.58) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL2298908 0.78 MAPT (0.73) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
Nitric Acid SCHEMBL6033843 0.76 HRH3 (0.54) HRH3ALDH1A1CYP2D6CYP2C9CYP2C19
Nitric Acid SCHEMBL7232747 0.76 HRH3 (0.54) HRH3ALDH1A1CYP2D6CYP2C9CYP2C19
Nitric Acid SCHEMBL7232743 0.76 HRH3 (0.54) HRH3ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL1640720 0.76 HRH3 (0.59) HRH3ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL3983560 0.76 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD

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 12 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
EP-1687285-B1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS NOVARTIS AG (CH) 2014-03-05 EP disclosed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
US-7795288-B2 Thiazole and pyrazole derivatives as Flt-3 kinase inhibitors NOVARTIS AG (CH) 2010-09-14 US disclosed
US-7795288-B2 Thiazole and pyrazole derivatives as Flt-3 kinase inhibitors NOVARTIS AG (CH) 2010-09-14 US disclosed
US-7795288-B2 Thiazole and pyrazole derivatives as Flt-3 kinase inhibitors NOVARTIS AG (CH) 2010-09-14 US disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 WO disclosed
US-20070167449-A1 Thiazole and pyrazole derivatives as flt-3 kinase inhibitors NOVARTIS PHARMA AG (CH) 2007-07-19 US disclosed
US-20070167449-A1 Thiazole and pyrazole derivatives as flt-3 kinase inhibitors NOVARTIS PHARMA AG (CH) 2007-07-19 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
WO-2005047273-A1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS NOVARTIS AG (CH) 2005-05-26 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 (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 HRH3 1666/4885ALDH1A1 2488/4885CYP3A4 1042/4885
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT VHL, TP53, BECN1 HRH3 2803/4885ALDH1A1 1737/4885CYP3A4 3754/4885

“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.