SCHEMBL7000736

SCHEMBL7000736

CN1CCN(c2ccc(N(S)C(=O)Nc3cc(-c4ccccc4)n[nH]3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.54
PRKD1 Q15139 9/20 0.49
FLT3 P36888 6/20 0.47
TACR3 P29371 1/20 0.46
AURKA O14965 2/20 0.44
KDR P35968 2/20 0.44
MAP4K1 Q92918 1/20 0.42
FLT1 P17948 1/20 0.42
KIT P10721 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL12077119 0.79 FLT3 (0.52) MELKPRKD1FLT3AURKAKDR
SCHEMBL7169348 0.78 MELK (0.58) MELKPRKD1FLT3TACR3AURKA
SCHEMBL12077710 0.77 FLT3 (0.50) MELKPRKD1FLT3AURKAKDR
SCHEMBL12091914 0.77 NPC1 (0.67) MELKFLT3AURKAKDRFLT1
SCHEMBL12094305 0.75 FLT3 (0.71) PRKD1FLT3AURKAKDRFLT1
SCHEMBL12077090 0.75 FLT3 (0.71) MELKFLT3AURKAKDRFLT1
SCHEMBL12077467 0.75 FLT3 (0.50) MELKPRKD1FLT3AURKAKDR
SCHEMBL17484170 0.74 FLT3 (0.52) MELKPRKD1FLT3AURKAKDR
SCHEMBL12077933 0.74 FLT3 (0.72) PRKD1FLT3AURKAKDRFLT1
SCHEMBL12077927 0.73 KDM1A (0.64) PRKD1FLT3AURKAKDRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566363-B2 5-amino-3-substituted-pyrazolo(4,5-d)thiazole compounds that mediate and/or inhibit the activity of cyclin-dependent kinases, useful for treating cancer, angiogenesis and cellular proliferation AGOURON PHARMACEUTICALS, INC. 2003-05-20 US disclosed
EP-1307462-A2 PYRAZOLE-THIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASES Agouron Pharmaceuticals, Inc. (US) 2003-05-07 EP disclosed
US-20020049215-A1 Pyrazole-thiazole compounds, pharmaceutical compositions containing them, and methods of their use for inhibiting cyclin-dependent kinases AGOURON PHARMACEUTICALS, INC. 2002-04-25 US disclosed
WO-2002012250-A2 PYRAZOLE-THIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-02-14 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-20020049215-A1 Pyrazole-thiazole compounds, pharmaceutical compositions containing them, and methods of their use for inhibiting cyclin-dependent kinases CDK4, CCNK, CDK2 MELK 183/4885PRKD1 317/4885FLT3 524/4885

“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.