SCHEMBL4211027

SCHEMBL4211027

O=c1[nH]cnc2c(-c3cccc(Cl)c3)csc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.71
GRM1 Q13255 3/20 0.51
PKM P14618 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
BRD4 O60885 1/20 0.43
IDO1 P14902 1/20 0.42
CHEK1 O14757 1/20 0.41
PIM1 P11309 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
AURKA O14965 2/20 0.41
DAPK3 O43293 2/20 0.41
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
RET P07949 2/20 0.41
IGF1R P08069 2/20 0.41
CLK2 P49760 2/20 0.41
GSK3A P49840 2/20 0.41

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
SCHEMBL4212378 0.84 PDPK1 (0.71) PDPK1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL4208195 0.83 PDPK1 (0.74) PDPK1GRM1NPC1RAB9ASMN1; SMN2
SCHEMBL1850150 0.83 PDPK1 (1.00) PDPK1GRM1NPC1RAB9ASMN1; SMN2
SCHEMBL4213459 0.81 PDPK1 (0.66) PDPK1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL4215734 0.81 PKM (0.67) PDPK1GRM1PKMNPC1RAB9A
SCHEMBL4213637 0.77 PDPK1 (0.72) PDPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17969217 0.75 PDPK1 (0.74) PDPK1GRM1NPC1RAB9ASMN1; SMN2
SCHEMBL4208731 0.72 PDPK1 (0.56) PDPK1PKMIDO1PDGFRB
SCHEMBL15845961 0.68 IP6K1 (0.68) RAB9AIDO1PIM1CLK4AURKA
SCHEMBL13945506 0.68 IDO1 (0.57) IDO1CHEK1PARP1KDM5B

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-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2009-01-29 US claimed
US-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2009-01-29 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-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS PIM1, PIM3, PIM2 PDPK1 13/4885GRM1 4614/4885PKM 378/4885

“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.