SCHEMBL16554668

SCHEMBL16554668

CCCCCc1ccc2ncc(-c3ccc(C(C)=O)s3)n2n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FYN P06241 17/20 0.43
IKBKB O14920 1/20 0.41
CYP3A4 P08684 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRK5 P34947 2/20 0.36
CAMK2D Q13557 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
SCHEMBL15254184 0.81 FYN (0.55) FYNIKBKB
SCHEMBL19467118 0.81 IKBKB (0.44) FYNIKBKBCYP3A4CYP2A6CYP2C9
SCHEMBL19467148 0.79 FYN (0.62) FYNIKBKB
SCHEMBL15254310 0.78 DYRK1A (0.46) FYNIKBKBCYP3A4CYP2A6CYP2C9
SCHEMBL16554474 0.78 DYRK1A (0.48) FYNIKBKBCYP3A4CYP2A6CYP2C9
SCHEMBL16554810 0.77 FYN (0.41) FYNIKBKBCYP3A4CYP2A6CYP2C9
SCHEMBL16010271 0.76 PIK3CD (0.52) FYNGRK5
SCHEMBL4692424 0.75 FYN (0.64) FYNIKBKB
SCHEMBL15254599 0.74 MKNK1 (0.57) FYNIKBKB
SCHEMBL15254545 0.74 IKBKB (0.53) FYNIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4159741-A1 METHOD FOR PRODUCING A CHIMERIC POLYNUCLEOTIDE ENCODING A POLYPEPTIDE HAVING A TRIAZOLE-CONTAINING INTERNUCLEOTIDE LINKAGE ModernaTX, Inc. (US) 2023-04-05 EP disclosed
EP-3169335-A2 CIRCULAR POLYNUCLEOTIDES Moderna Therapeutics, Inc. (US) 2017-05-24 EP disclosed
EP-3169693-A1 CHIMERIC POLYNUCLEOTIDES Moderna Therapeutics, Inc. (US) 2017-05-24 EP disclosed
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
EP-3041934-A1 CHIMERIC POLYNUCLEOTIDES Moderna Therapeutics, Inc. (US) 2016-07-13 EP disclosed
WO-2016011226-A1 CHIMERIC POLYNUCLEOTIDES MODERNA THERAPEUTICS, INC. (US) 2016-01-21 WO disclosed
WO-2016011222-A2 CIRCULAR POLYNUCLEOTIDES MODERNA THERAPEUTICS, INC. (US) 2016-01-21 WO 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-2015034928-A1 CHIMERIC POLYNUCLEOTIDES MODERNA THERAPEUTICS, 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
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 712/4885IKBKB 381/4885CYP3A4 4733/4885

“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.