SCHEMBL3597276

SCHEMBL3597276

CN(C)Cc1cccc(NC(N)=S)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
KMT2A Q03164 2/20 0.53
NOS1 P29475 3/20 0.50
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
TYR P14679 1/20 0.47
TAS2R38 P59533 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
NOS2 P35228 1/20 0.44
ROCK2 O75116 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42

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
SCHEMBL6681291 0.86 ALDH1A1 (0.51) CYP1A2KMT2AALDH1A1TSHRTP53
SCHEMBL9381846 0.84 KDM1A (0.52) NOS1KDM1ARCOR1NOS2ROCK2
SCHEMBL3728364 0.84 NOS1 (0.50) NOS1ALDH1A1TSHRKDM1ARCOR1
SCHEMBL1887849 0.81 CYP1A2 (0.61) CYP1A2KMT2AALDH1A1TSHRTP53
SCHEMBL27477068 0.80 KMT2A (0.49) CYP1A2KMT2ANOS1ALDH1A1TSHR
SCHEMBL27295444 0.80 KMT2A (0.59) CYP1A2KMT2ANOS1ALDH1A1TSHR
SCHEMBL4519890 0.80 KMT2A (0.59) CYP1A2KMT2AALDH1A1TSHRTP53
SCHEMBL6679402 0.79 SIGMAR1 (0.51) NOS1NOS2SIGMAR1GRIN2DGRIN3B
SCHEMBL27390322 0.78 KMT2A (0.58) CYP1A2KMT2AALDH1A1TSHRTP53
Hydrochloric Acid SCHEMBL6677392 0.78 SIGMAR1 (0.52) NOS1SIGMAR1GRIN2DGRIN3BGRIN1

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 17 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
CN-1902186-B Thiazole and pyrazole derivatives as FLT-3 kinase inhibitors NOVARTIS AG 2010-12-22 CN 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
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
CN-1902186-A Thiazole and pyrazole derivatives as FLT-3 kinase inhibitors NOVARTIS AG (CH) 2007-01-24 CN 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
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 CN disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 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 (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-20070167449-A1 Thiazole and pyrazole derivatives as flt-3 kinase inhibitors FLT3, FLT1, FLT4 CYP1A2 1101/4885KMT2A 1820/4885NOS1 857/4885

“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.