SCHEMBL7169348

SCHEMBL7169348

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.58
PRKD1 Q15139 3/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
FLT3 P36888 5/20 0.47
KDR P35968 3/20 0.47
AURKA O14965 2/20 0.47
MITF O75030 1/20 0.45
MAP4K1 Q92918 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TACR3 P29371 1/20 0.44
FLT1 P17948 1/20 0.44
JAK3 P52333 1/20 0.43

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
SCHEMBL7169237 0.85 PRKD1 (0.43) MELKPRKD1NPC1RAB9AFLT3
SCHEMBL12091914 0.82 NPC1 (0.67) MELKNPC1RAB9AFLT3KDR
SCHEMBL12077090 0.80 FLT3 (0.71) MELKNPC1RAB9AFLT3KDR
SCHEMBL7000736 0.78 MELK (0.54) MELKPRKD1NPC1RAB9AFLT3
SCHEMBL12077933 0.77 FLT3 (0.72) PRKD1NPC1RAB9AFLT3KDR
SCHEMBL12077116 0.77 FLT3 (0.73) NPC1RAB9AFLT3KDRAURKA
SCHEMBL12094305 0.76 FLT3 (0.71) PRKD1NPC1RAB9AFLT3KDR
SCHEMBL12077607 0.75 FLT3 (0.75) NPC1RAB9AFLT3KDRAURKA
SCHEMBL12091913 0.75 FLT3 (0.55) PRKD1NPC1RAB9AFLT3KDR
SCHEMBL12077708 0.75 FLT3 (0.74) NPC1RAB9AFLT3KDRAURKA

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 MELK 183/4885PRKD1 317/4885NPC1 4400/4885

“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.