SCHEMBL1944086

SCHEMBL1944086

COCCNc1nn2cc(-c3cccc(OC(F)(F)F)c3)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 11/20 0.51
PIM1 P11309 2/20 0.43
SYK P43405 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
DYRK1A Q13627 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
FYN P06241 1/20 0.40

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
SCHEMBL1946084 0.90 F2RL3 (0.45) F2RL3PIM1SYKMAPTTP53
SCHEMBL1945213 0.86 F2RL3 (0.46) F2RL3PIM1SYKMAPTTP53
SCHEMBL1946651 0.86 F2RL3 (0.64) F2RL3MAPTTP53GAA
SCHEMBL1946612 0.85 F2RL3 (0.49) F2RL3MAPTTP53GAAFYN
SCHEMBL1944433 0.85 F2RL3 (0.62) F2RL3MAPTTP53GAA
SCHEMBL624084 0.84 F2RL3 (0.45) F2RL3PIM1IRAK4
SCHEMBL1945470 0.84 NAMPT (0.44) F2RL3PIM1SYKDYRK1AFYN
SCHEMBL1945045 0.84 PIM1 (0.54) F2RL3PIM1MAPTTP53GAA
SCHEMBL627162 0.84 F2RL3 (0.44) F2RL3PIM1IRAK4
SCHEMBL1945626 0.83 F2RL3 (0.47) F2RL3PIM1MAPTTP53DYRK1A

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 5 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-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 F2RL3 1121/4885PIM1 72/4885SYK 1704/4885

“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.