SCHEMBL1945508

SCHEMBL1945508

COc1ccc(CNc2nn3cc(-c4ccc(F)c(Cl)c4)nc3s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 7/20 0.50
MAPT P10636 6/20 0.47
FYN P06241 3/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
EGFR P00533 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL1945597 0.88 F2RL3 (0.59) F2RL3MAPTFYNLMNATP53
SCHEMBL1947525 0.87 F2RL3 (0.61) F2RL3MAPTFYNLMNATP53
SCHEMBL1944803 0.87 NR1H4 (0.48) F2RL3MAPTFYNLMNATP53
SCHEMBL1947023 0.86 F2RL3 (0.43) F2RL3MAPTFYNLMNATP53
SCHEMBL15603233 0.86 FYN (0.44) F2RL3MAPTFYNLMNATP53
SCHEMBL1944295 0.85 F2RL3 (0.61) F2RL3MAPTFYNTP53CA12
SCHEMBL1945315 0.84 MAPT (0.53) F2RL3MAPTFYNLMNATP53
SCHEMBL1947352 0.84 F2RL3 (0.52) F2RL3MAPTFYNTP53CA12
SCHEMBL1945828 0.83 MAPT (0.40) F2RL3MAPTFYNLMNATP53
SCHEMBL1945408 0.83 FYN (0.46) F2RL3MAPTFYN

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-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

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 F2RL3 3047/4885MAPT 3189/4885FYN 383/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R F2RL3 1121/4885MAPT 4021/4885FYN 1977/4885

“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.