SCHEMBL4417814

SCHEMBL4417814

Cc1cnc2[nH]c3cccc(O)c3c2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
KDM4E B2RXH2 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CHEK1 O14757 1/20 0.37

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
SCHEMBL3949517 0.83 IMPDH2 (0.49) IMPDH2IMPDH1CHEK1
SCHEMBL4423714 0.81 PDK2 (0.37) KDM4EPDK2PDK4CHEK1
SCHEMBL3950256 0.79 PADI4 (0.40) PDK2PDK4CHEK1
SCHEMBL3942114 0.77 PDK2 (0.62) KDM4EPDK2PDK4
SCHEMBL4412763 0.76 DYRK1A (0.46) IMPDH2IMPDH1CHEK1
SCHEMBL29990938 0.76 PDK2 (0.52) KDM4EPDK2PDK4
SCHEMBL3890352 0.76 PDK2 (0.52) KDM4EPDK2PDK4
SCHEMBL13596793 0.74 IMPDH2 (0.58) IMPDH2IMPDH1KDM4EPDK2CHEK1
SCHEMBL12955174 0.71 PDK2 (0.43) PDK2PDK4CHEK1
SCHEMBL3941873 0.71 PDK2 (0.42) KDM4EPDK2PDK4CHEK1

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 IMPDH2 1642/4885IMPDH1 1257/4885KDM4E 390/4885

“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.