Sugi Predict

Sugi Predict / Compounds / SCHEMBL16554646

SCHEMBL16554646

SCHEMBL16554646

CC(C)(C)Cn1cc(-c2ccc3nccn3n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.50
▸ JAK2 O60674 6/20 0.48
▸ CLK4 Q9HAZ1 3/20 0.48
▸ RET P07949 2/20 0.48
▸ KDR P35968 2/20 0.48
▸ GSK3A P49840 2/20 0.48
▸ RPS6KA3 P51812 2/20 0.48
▸ LIMK1 P53667 2/20 0.48
▸ MAP2K1 Q02750 2/20 0.48
▸ ALK Q9UM73 2/20 0.48
▸ DYRK1B Q9Y463 2/20 0.48
▸ MAPK14 Q16539 2/20 0.48
▸ MAP4K4 O95819 2/20 0.43
▸ PRKACA P17612 2/20 0.43
▸ CDK8 P49336 2/20 0.43
▸ LRRK2 Q5S007 2/20 0.43
▸ FGFR1 P11362 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ ABL1 P00519 1/20 0.43

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
SCHEMBL16562531 0.80 DYRK1A (0.48) DYRK1AJAK2CLK4RETKDR
SCHEMBL3409540 0.78 DYRK1A (0.58) DYRK1AJAK2CLK4RETKDR
SCHEMBL16554659 0.76 FYN (0.42) METPDK2FYN
SCHEMBL16554797 0.76 FYN (0.42) METPDK2FYN
SCHEMBL29533296 0.72 CCR1 (0.44) LRRK2PDK2PIM1
SCHEMBL3416288 0.69 MET (0.49) DYRK1AJAK2CLK4RETKDR
SCHEMBL360789 0.69 DYRK1A (0.77) DYRK1AJAK2CLK4RETKDR
SCHEMBL16554590 0.69 FYN (0.46) ACVR1FYN
SCHEMBL9887864 0.68 CYP3A4 (0.50) KDRMAP4K4CDK8PDK2
SCHEMBL21643997 0.68 DYRK1A (1.00) DYRK1AJAK2CLK4RETKDR

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 7 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-2015035325-A1 INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES THE REGENTS OF UNIVERSITY OF CALIFORNIA (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 DYRK1A 1398/4885JAK2 296/4885CLK4 1601/4885

“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.