SCHEMBL14947683

SCHEMBL14947683

CC(Nc1cc(N)ncn1)c1cnn(-c2ccccc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.44
CFTR P13569 6/20 0.43
PIK3CD O00329 2/20 0.39
PIK3R1 P27986 2/20 0.39
HTR7 P34969 3/20 0.38
DYRK1B Q9Y463 2/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
JAK2 O60674 3/20 0.37
JAK3 P52333 3/20 0.37
GRM4 Q14833 1/20 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
SCHEMBL14935590 0.76 LMNA (0.40) CFTRPIK3CDPIK3R1DYRK1BGRM4
SCHEMBL14947696 0.76 PIK3CD (0.44) PIK3CDPIK3R1
SCHEMBL30047569 0.74 HTR7 (0.58) PLK1PIK3CDPIK3R1HTR7JAK2
SCHEMBL18878391 0.73 GRM4 (0.45) CFTRDYRK1BGRM4
SCHEMBL17040353 0.72 RAB9A (0.44) CFTRDYRK1BMEN1KMT2AGRM4
SCHEMBL14935560 0.72 CFTR (0.45) CFTRDYRK1BGRM4
SCHEMBL20162913 0.71 CFTR (0.50) CFTR
SCHEMBL14947693 0.70 GRM4 (0.43) CFTRDYRK1BGRM4
SCHEMBL14947692 0.70 GRM4 (0.43) CFTRDYRK1BGRM4
SCHEMBL20282465 0.68 CFTR (0.44) CFTRDYRK1BGRM4

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-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 US disclosed
US-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 US disclosed
WO-2013071232-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TBL-1 BINDING TO DISEASE-ASSOCIATED MOLECULES BETA CAT PHARMACEUTICALS, LLC (US) 2013-05-16 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-20130123281-A1 Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules TBL2, TBL3, TBL1XR1 PLK1 1845/4885CFTR 1401/4885PIK3CD 2228/4885

“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.