SCHEMBL4414248

SCHEMBL4414248

COc1ccc(I)c2c1[nH]c1ncc(C)cc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.38
NQO2 P16083 1/20 0.38
KIT P10721 4/20 0.38
DYRK1A Q13627 1/20 0.35
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL12955038 0.86 NQO2 (0.43) PDK2PDK4KDM4EMEN1POLB
SCHEMBL4421029 0.85 KIT (0.39) KDM4EMEN1POLBGAAMAPT
SCHEMBL4418420 0.84 PDK2 (0.40) PDK2PDK4KDM4EMEN1POLB
SCHEMBL2612700 0.84 PDK2 (0.40) PDK2PDK4KDM4EMEN1POLB
SCHEMBL3941873 0.81 PDK2 (0.42) PDK2PDK4KDM4ENQO2
SCHEMBL4422582 0.76 PDK2 (0.59) PDK2PDK4KDM4EMEN1POLB
SCHEMBL13598849 0.74 PDK2 (0.41) PDK2PDK4NQO2
SCHEMBL3799569 0.74 PDK2 (0.36) PDK2PDK4NQO2KIT
SCHEMBL13596953 0.73 NQO2 (0.49) PDK2PDK4KDM4EMEN1GAA
SCHEMBL644225 0.73 KIT (0.52) KDM4EMEN1MAPTKMT2AKIT

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 212/4885KDM4E 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.