SCHEMBL1944572

SCHEMBL1944572

O=C1NCCN1CCNc1nn2cc(-c3cccc(OC(F)(F)F)c3)nc2s1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.41
PIM1 P11309 2/20 0.41
F2RL3 Q96RI0 1/20 0.40
ACP1 P24666 1/20 0.40
XDH P47989 1/20 0.39
SYK P43405 1/20 0.39
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 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
SCHEMBL1946338 0.87 F2RL3 (0.49) SCN9AF2RL3IRAK1IRAK4
SCHEMBL625517 0.86 PIM1 (0.47) PIM1F2RL3ACP1SYK
SCHEMBL1946021 0.84 SCN9A (0.42) SCN9AF2RL3IRAK1IRAK4
SCHEMBL1944702 0.84 PIM1 (0.55) PIM1F2RL3ACP1
SCHEMBL2253772 0.84 ACP1 (0.52) PIM1F2RL3ACP1
SCHEMBL1944568 0.83 PIM1 (0.51) PIM1
SCHEMBL624084 0.83 F2RL3 (0.45) PIM1F2RL3ACP1IRAK4
SCHEMBL627162 0.82 F2RL3 (0.44) PIM1F2RL3ACP1IRAK4
SCHEMBL2253503 0.82 SCN9A (0.46) SCN9AF2RL3ACP1IRAK1IRAK4
SCHEMBL1944086 0.80 F2RL3 (0.51) PIM1F2RL3SYKIRAK4

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 4 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-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 SCN9A 3559/4885PIM1 72/4885F2RL3 1121/4885

“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.