SCHEMBL7003394

SCHEMBL7003394

Nc1cc(-c2c(F)cccc2F)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
ILK Q13418 1/20 0.33
BACE1 P56817 1/20 0.33
TTK P33981 1/20 0.33
GAA P10253 2/20 0.33
NOS3 P29474 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MPO P05164 1/20 0.32
HTR5A P47898 1/20 0.32
TTR P02766 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TRPA1 O75762 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL28165622 0.82 ALPL (0.33)
SCHEMBL21775709 0.81 IDO1 (0.32) NOS1NOS2NOS3MAPT
SCHEMBL29711475 0.79 PDPK1 (0.31) NPC1MAPTHPGDSMN1; SMN2MEN1
SCHEMBL30375058 0.79 IDO1 (0.49) ALOX5APFEN1GAAKDM4ENPC1
SCHEMBL2083395 0.79 IDO1 (0.49) ALOX5APFEN1GAAKDM4ENPC1
SCHEMBL2089783 0.78 GAA (0.41) NOS1NOS2GAANOS3KDM4E
SCHEMBL3340666 0.77 CHEK1 (0.43) GAAHSD17B10MAPTHPGDSMN1; SMN2
SCHEMBL168536 0.74 MAPT (0.54) KDM4ENPC1MAPTHPGDSMN1; SMN2
SCHEMBL15656631 0.72 NOTUM (0.44) GAANPC1HSD17B10MAPTSMN1; SMN2
SCHEMBL244618 0.71 ALPL (0.54) KDM4ENPC1MAPTMEN1KMT2A

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 ALOX5AP 1956/4885FEN1 3341/4885NOS1 1280/4885

“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.