SCHEMBL16554659

SCHEMBL16554659

CC(C)(C)Cn1cc(-c2ccc3ncc(Br)n3n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 0.42
GRK5 P34947 1/20 0.39
TGFBR1 P36897 1/20 0.36
MET P08581 3/20 0.36
PDK2 Q15119 2/20 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
SCHEMBL16554797 0.85 FYN (0.42) FYNGRK5TGFBR1METPDK2
SCHEMBL16554998 0.81 FYN (0.44) FYNGRK5TGFBR1MET
SCHEMBL3411895 0.79 FYN (0.64) FYNGRK5MET
SCHEMBL16554646 0.76 DYRK1A (0.50) FYNMETPDK2
SCHEMBL16554590 0.74 FYN (0.46) FYNGRK5
SCHEMBL29533296 0.72 CCR1 (0.44) PDK2
SCHEMBL21644070 0.69 FYN (0.61) FYN
SCHEMBL22530216 0.69 KCNH2 (0.54) PDK2
SCHEMBL16562599 0.68 FYN (0.41) FYNGRK5TGFBR1
SCHEMBL23630967 0.68 KCNJ5 (0.48) PDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041473-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2016-07-13 EP disclosed
US-20150183791-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2015-07-02 US disclosed
US-20150183791-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2015-07-02 US disclosed
US-20150183791-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2015-07-02 US disclosed
WO-2015035167-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2015-03-12 WO disclosed
WO-2015035167-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2015-03-12 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-20150183791-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 FYN 712/4885GRK5 328/4885TGFBR1 2637/4885

“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.