SCHEMBL3950256

SCHEMBL3950256

Cc1cnc2[nH]c3cc(-c4ccccc4)cc(O)c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 3/20 0.40
CHEK1 O14757 2/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
PLK4 O00444 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
PIM1 P11309 1/20 0.40
FER P16591 1/20 0.40
CDK2 P24941 1/20 0.40
MARK3 P27448 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
SYK P43405 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 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
SCHEMBL4423714 0.82 PDK2 (0.37) CHEK1PDK2PDK4
SCHEMBL14292642 0.80 ADORA2A (0.47) CHEK1PDK2
SCHEMBL4417814 0.79 IMPDH2 (0.47) CHEK1PDK2PDK4
SCHEMBL4414274 0.75 BCHE (0.50) PDK2PDK4BCHE
SCHEMBL14534096 0.73 MAP2 (0.46) PADI4CHEK1PLK4PRKD3CDK1
SCHEMBL4415552 0.71 PDK2 (0.51) PADI4PDK2PDK4GSK3BBCHE
SCHEMBL3890352 0.70 PDK2 (0.52) PDK2PDK4
SCHEMBL2355001 0.70 PADI4 (0.47) PADI4PDK2PDK4MAP2
SCHEMBL3890241 0.69 PDK2 (0.43) PADI4CHEK1PDK2PDK4PLK4
SCHEMBL3942114 0.69 PDK2 (0.62) PDK2PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2049535-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
WO-2008016184-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 PADI4 462/4885CHEK1 1208/4885PDK2 178/4885

“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.