SCHEMBL4423714

SCHEMBL4423714

Cc1cc(O)c2c(c1)[nH]c1ncc(C)cc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
CHEK1 O14757 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32

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
SCHEMBL3950256 0.82 PADI4 (0.40) PDK2PDK4CHEK1
SCHEMBL4417814 0.81 IMPDH2 (0.47) PDK2PDK4CHEK1KDM4E
SCHEMBL10253473 0.71 CHEK1 (0.38) PDK2PDK4CHEK1
SCHEMBL12969458 0.71 PDK2 (0.35) PDK2PDK4
SCHEMBL10253662 0.70 ATM (0.43) KDM4E
SCHEMBL3941873 0.70 PDK2 (0.42) PDK2PDK4CHEK1KDM4E
SCHEMBL28280007 0.69 ACHE (0.54) PDK2PDK4KDM4E
SCHEMBL645961 0.69 CHEK1 (0.36) PDK2PDK4CHEK1
SCHEMBL646277 0.69 TTR (0.38) PDK2PDK4CHEK1
SCHEMBL645138 0.68 ATM (0.41) KDM4E

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 212/4885CHEK1 1208/4885

“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.