SCHEMBL1945312

SCHEMBL1945312

FC(F)(F)Oc1cccc(-c2cn3nc(NC4CCCCC4)sc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.45
PIM1 P11309 14/20 0.44
KCNH2 Q12809 1/20 0.44
F2RL3 Q96RI0 2/20 0.44
PIM2 Q9P1W9 3/20 0.43
FLT3 P36888 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GALR2 O43603 1/20 0.41
GALR1 P47211 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
SCHEMBL1944061 0.91 PIM1 (0.54) FYNPIM1KCNH2F2RL3PIM2
SCHEMBL625292 0.91 PIM1 (0.53) PIM1KCNH2F2RL3PIM2FLT3
SCHEMBL626259 0.91 PIM1 (0.53) PIM1KCNH2F2RL3PIM2FLT3
SCHEMBL623435 0.90 PIM1 (0.46) PIM1KCNH2F2RL3PIM2FLT3
Hydrochloric Acid SCHEMBL625023 0.90 PIM1 (0.45) PIM1KCNH2F2RL3PIM2FLT3
SCHEMBL1945224 0.85 F2RL3 (0.57) FYNPIM1KCNH2F2RL3PIM2
SCHEMBL625501 0.84 PIM1 (0.43) PIM1KCNH2F2RL3PIM2FLT3
SCHEMBL623873 0.84 IDH1 (0.44) PIM1KCNH2MAPTTHRB
SCHEMBL1944243 0.84 FYN (0.62) FYNF2RL3MAPTTHRBRXFP1
SCHEMBL625561 0.83 PIM1 (0.49) PIM1KCNH2F2RL3PIM2FLT3

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 FYN 1977/4885PIM1 72/4885KCNH2 3661/4885

“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.