SCHEMBL1946002

SCHEMBL1946002

c1cc(-c2cn3nc(NC4CCCCC4)sc3n2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
FYN P06241 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
TYR P14679 1/20 0.37
TP53 P04637 3/20 0.36
KDR P35968 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HTR6 P50406 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1946595 0.82 MAPT (0.53) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL1944906 0.82 FYN (0.47) SMN1; SMN2KDM4EMEN1KMT2ANPC1
SCHEMBL1948007 0.80 CCNA2 (0.47) MEN1KMT2AGAANPC1RAB9A
SCHEMBL1946551 0.80 FYN (0.43) SMN1; SMN2KDM4ENPC1RAB9AFYN
SCHEMBL1945054 0.80 F2RL3 (0.54) SMN1; SMN2KDM4EMEN1KMT2ANPC1
SCHEMBL1945991 0.79 MKNK1 (0.46) SMN1; SMN2KDM4EMEN1KMT2ANPC1
SCHEMBL1944785 0.79 F2RL3 (0.55) NPC1RAB9AFYNMAPT
SCHEMBL1944243 0.79 FYN (0.62) SMN1; SMN2NPC1RAB9AFYNMAPT
SCHEMBL1943799 0.78 PDE7A (0.43) KDM4EALDH1A1FYNMAPTPI4KB
SCHEMBL1946301 0.77 FYN (0.54) KDM4EALDH1A1MEN1KMT2ANPC1

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 SMN1; SMN2 4370/4885KDM4E 2685/4885ALDH1A1 416/4885

“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.