SCHEMBL4428308

SCHEMBL4428308

Cc1cnc2[nH]c3ccc(C=O)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PTK2B Q14289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL675117 0.84 KIF11 (0.51) KIF11KDM4EALDH1A1POLBMAPT
SCHEMBL28280007 0.82 ACHE (0.54) KIF11PDK2PDK4ACHEKDM4E
SCHEMBL3942223 0.80 PDK2 (0.39) PDK2PDK4ACHEKDM4EMEN1
SCHEMBL20006729 0.79 KIF11 (0.66) KIF11ACHEKDM4EMEN1NPC1
SCHEMBL4421221 0.77 CHUK (0.47) PDK2PDK4ACHEHPGD
SCHEMBL13598869 0.77 PDK2 (0.43) PDK2PDK4ACHEKDM4E
SCHEMBL20685571 0.77 CHUK (0.47) PDK2PDK4ACHEMEN1NPC1
SCHEMBL20685567 0.77 KIF11 (0.53) KIF11PDK2PDK4ACHEKDM4E
SCHEMBL678622 0.76 KIF11 (0.61) KIF11MEN1MAPTKMT2A
SCHEMBL3942220 0.75 KIF11 (0.57) KIF11PDK2PDK4KDM4EMEN1

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 KIF11 3047/4885PDK2 178/4885PDK4 212/4885

“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.