SCHEMBL1944248

SCHEMBL1944248

CN(c1nn2c(-c3ccccc3)cnc2s1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FYN P06241 17/20 0.43
USP30 Q70CQ3 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL2251626 0.88 MKNK1 (0.53) FYNMKNK1
SCHEMBL1944729 0.87 FYN (0.51) FYNMKNK1
SCHEMBL1944447 0.85 FYN (0.42) FYNMKNK1
SCHEMBL27815636 0.85 DYRK3 (0.46) FYN
SCHEMBL1947244 0.85 FYN (0.57) FYN
SCHEMBL2257597 0.85 DYRK1A (0.44) FYNMKNK1
SCHEMBL1946962 0.85 MKNK1 (0.41) FYNMKNK1
SCHEMBL1945272 0.84 FYN (0.50) FYNMKNK1
SCHEMBL27815617 0.84 FYN (0.37) FYNMKNK1
SCHEMBL2251446 0.83 DYRK1A (0.49) FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
EP-2193133-B1 IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN KINASE INHIBITORS FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-19 EP disclosed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8563550-B2 Imidazolothiadiazoles for use as protein kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) 2013-10-22 US disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-08-04 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 US disclosed
EP-2193133-A2 IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-06-09 EP disclosed
WO-2009040552-A2 SUBSTITUTED IMIDAZO (2, 1-B) -1, 3, 4-THIAZOLE COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2009-04-02 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 (2 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-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 FYN 383/4885USP30 2961/4885MKNK1 147/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R FYN 1977/4885USP30 3858/4885MKNK1 860/4885

“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.