SCHEMBL4415552

SCHEMBL4415552

Cc1cnc2[nH]c3c(C)cc(-c4ccccc4)cc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.51
PDK4 Q16654 1/20 0.51
PSMB5 P28074 1/20 0.42
BCHE P06276 1/20 0.40
PADI4 Q9UM07 2/20 0.39
CAMKK2 Q96RR4 1/20 0.39
AXL P30530 1/20 0.39
CDK8 P49336 1/20 0.39
TNIK Q9UKE5 1/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL14292167 0.81 PDK2 (0.50) PDK2PDK4
SCHEMBL4412776 0.80 PDK2 (0.65) PDK2PDK4
SCHEMBL4414582 0.80 PDK2 (0.58) PDK2PDK4BCHEPADI4AXL
SCHEMBL21765583 0.79 KDM4E (0.46) PSMB5BCHE
SCHEMBL4414274 0.78 BCHE (0.50) PDK2PDK4BCHEAXL
SCHEMBL14292794 0.76 PDK2 (0.46) PDK2PDK4
SCHEMBL4418164 0.76 PDK2 (0.46) PDK2PDK4GSK3B
SCHEMBL4428321 0.74 PDK2 (0.57) PDK2PDK4
SCHEMBL2355001 0.73 PADI4 (0.47) PDK2PDK4PADI4
SCHEMBL4421034 0.72 PDK2 (0.43) 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 4 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
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 PDK2 178/4885PDK4 212/4885PSMB5 2448/4885

“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.