SCHEMBL4213637

SCHEMBL4213637

O=c1[nH]cnc2c(-c3cccnc3)csc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.72
DHPS P49366 1/20 0.52
GPR35 Q9HC97 2/20 0.48
PDE4B Q07343 2/20 0.43
PDE7A Q13946 2/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
CYP17A1 P05093 1/20 0.41
CYP1A2 P05177 1/20 0.41
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
MAPT P10636 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL1850150 0.84 PDPK1 (1.00) PDPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4212378 0.80 PDPK1 (0.71) PDPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4211027 0.77 PDPK1 (0.71) PDPK1NPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL17969217 0.76 PDPK1 (0.74) PDPK1NPC1RAB9ASMN1; SMN2CYP17A1
SCHEMBL4208195 0.76 PDPK1 (0.74) PDPK1NPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL4213459 0.74 PDPK1 (0.66) PDPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4215734 0.74 PKM (0.67) PDPK1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL29723496 0.72 LIMK1 (0.53) DHPSGPR35CYP17A1CYP1A2GSK3B
SCHEMBL4207689 0.71 RAB9A (0.74) PDPK1NPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL4208731 0.70 PDPK1 (0.56) PDPK1

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 13/4885DHPS 1759/4885GPR35 4757/4885

“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.