SCHEMBL4421034

SCHEMBL4421034

Cc1cnc2[nH]c3c(C)cc(C#N)cc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
CHEK1 O14757 3/20 0.35

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 0.82 PDK2 (0.50) PDK2PDK4
SCHEMBL10253473 0.79 CHEK1 (0.38) PDK2PDK4CHEK1
SCHEMBL4418164 0.77 PDK2 (0.46) PDK2PDK4CHEK1
SCHEMBL14292794 0.77 PDK2 (0.46) PDK2PDK4
SCHEMBL4415500 0.77 CHUK (0.51) PDK2PDK4CHEK1
SCHEMBL4415552 0.72 PDK2 (0.51) PDK2PDK4
SCHEMBL4412776 0.72 PDK2 (0.65) PDK2PDK4
SCHEMBL10253950 0.71 PDK2 (0.39) PDK2PDK4CHEK1
SCHEMBL645961 0.71 CHEK1 (0.36) PDK2PDK4CHEK1
SCHEMBL646277 0.71 TTR (0.38) PDK2PDK4CHEK1

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 3 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

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.