SCHEMBL7169237

SCHEMBL7169237

CN1CCN(c2ccc(NC(=S)Nc3cc(-c4c(F)cccc4F)n[nH]3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
MAP4K1 Q92918 5/20 0.42
MAPK1 P28482 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
MELK Q14680 1/20 0.40
MT-CO2 P00403 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAP4K4 O95819 1/20 0.39
TNIK Q9UKE5 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL7169348 0.85 MELK (0.58) PRKD1MITFMAP4K1NPC1RAB9A
SCHEMBL7003925 0.77 PRKD1 (0.45) PRKD1GSK3BDYRK1AMAP4K1NPC1
SCHEMBL28903809 0.71 MELK (0.70) PRKD1MAP4K1MELK
SCHEMBL12091914 0.69 NPC1 (0.67) NPC1RAB9AMELKAURKAKDR
SCHEMBL28903817 0.69 MELK (0.63) PRKD1MAP4K1MELK
SCHEMBL12077090 0.68 FLT3 (0.71) NPC1RAB9AMELKAURKAKDR
SCHEMBL12077410 0.68 FLT3 (0.55) DYRK1ANPC1RAB9AAURKAKDR
SCHEMBL28903756 0.68 MELK (0.64) PRKD1MAP4K1MELK
SCHEMBL28977171 0.67 MAP4K1 (0.66) PRKD1MAP4K1MELK
SCHEMBL12077933 0.67 FLT3 (0.72) PRKD1NPC1RAB9AAURKAKDR

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 2 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
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

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 PRKD1 317/4885MITF 212/4885ALDH1A1 2325/4885

“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.