SCHEMBL13616175

SCHEMBL13616175

O=C1N=C(S)S/C1=C\c1ccc(F)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
DAPK3 O43293 1/20 0.44
PRKD3 O94806 1/20 0.44
PIM1 P11309 1/20 0.44
MAPK8 P45983 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK8 P49336 1/20 0.44
CLK2 P49760 1/20 0.44
CDK9 P50750 1/20 0.44
CDK5 Q00535 1/20 0.44
DYRK1A Q13627 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
XDH P47989 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 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
SCHEMBL13616180 0.89 KMT2A (0.40) CHEK1DAPK3PRKD3PIM1MAPK8
SCHEMBL3425948 0.81 MAPT (0.51) CHEK1DAPK3PRKD3PIM1MAPK8
SCHEMBL3425952 0.81 MAPT (0.51) CHEK1DAPK3PRKD3PIM1MAPK8
SCHEMBL3427925 0.77 RAB9A (0.62) KMT2AMEN1MAPTPOLBMAPK1
SCHEMBL3427921 0.77 RAB9A (0.62) KMT2AMEN1MAPTPOLBMAPK1
SCHEMBL3428869 0.76 NPC1 (0.64) KMT2AMEN1MAPTPOLBGRIN1
SCHEMBL3428872 0.76 NPC1 (0.64) KMT2AMEN1MAPTPOLBGRIN1
SCHEMBL13629859 0.74 SENP1 (0.56) KMT2AMEN1MAPTPOLBGAA
SCHEMBL3427572 0.73 GRIN1 (0.45) CHEK1DAPK3PRKD3PIM1MAPK8
SCHEMBL4339151 0.73 GRIN1 (0.45) CHEK1DAPK3PRKD3PIM1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 US disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 US disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR CHEK1 4666/4885DAPK3 1660/4885PRKD3 4392/4885

“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.