SCHEMBL1944941

SCHEMBL1944941

CC(C)CNc1nn2c(-c3ccccc3CO)cnc2s1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.64
FYN P06241 17/20 0.60
KIT P10721 1/20 0.41
PIM1 P11309 1/20 0.41
FLT3 P36888 1/20 0.41
CDK7 P50613 1/20 0.41
KCNH2 Q12809 1/20 0.41
PIM3 Q86V86 1/20 0.41
HASPIN Q8TF76 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL1944539 0.84 MKNK1 (0.67) MKNK1FYNKITPIM1FLT3
SCHEMBL1945332 0.83 FYN (0.69) MKNK1FYN
SCHEMBL1945529 0.83 MKNK1 (0.81) MKNK1FYN
SCHEMBL1944470 0.83 FYN (0.64) FYN
SCHEMBL1946395 0.82 MKNK1 (0.76) MKNK1FYN
SCHEMBL1944079 0.82 FYN (0.49) MKNK1FYN
SCHEMBL1946317 0.82 MKNK1 (0.64) MKNK1FYNKITPIM1FLT3
SCHEMBL1945151 0.81 MKNK1 (0.64) MKNK1FYNPIM1PIM2
SCHEMBL1945773 0.80 FYN (0.69) MKNK1FYN
SCHEMBL1945074 0.80 MKNK1 (0.79) MKNK1FYN

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 8 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-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 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 (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-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R MKNK1 860/4885FYN 1977/4885KIT 1175/4885

“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.