SCHEMBL1944937

SCHEMBL1944937

CCCNc1nn2cc(-c3cccc(C(C)=O)c3)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.51
TP53 P04637 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALOX15 P16050 2/20 0.44
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
F2RL3 Q96RI0 2/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 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
SCHEMBL15603208 0.89 FYN (0.52) FYNTP53SMN1; SMN2MAPTNPC1
SCHEMBL15603263 0.89 FYN (0.46) FYNTP53SMN1; SMN2MAPTNPC1
SCHEMBL1946861 0.86 FYN (0.65) FYNTP53SMN1; SMN2MAPTNPC1
SCHEMBL1651219 0.86 FYN (0.55) FYNTP53MAPTKDM4EF2RL3
SCHEMBL1945457 0.85 FYN (0.52) FYNTP53SMN1; SMN2MAPTNPC1
SCHEMBL15603292 0.85 BRAF (0.47) FYNTP53SMN1; SMN2MAPTNPC1
SCHEMBL2252497 0.85 GAA (0.50) FYNTP53SMN1; SMN2MAPTNPC1
SCHEMBL15603288 0.84 FYN (0.44) FYNSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2250766 0.84 FYN (0.53) FYNTP53SMN1; SMN2MAPTNPC1
SCHEMBL1945465 0.83 NR5A2 (0.54) FYNMAPTHSD17B10MAP4K4

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 1977/4885TP53 237/4885SMN1; SMN2 4370/4885

“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.