SCHEMBL1945828

SCHEMBL1945828

Fc1ccc(CNc2nn3cc(-c4ccc5ccccc5c4)nc3s2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
F2RL3 Q96RI0 6/20 0.39
BRAF P15056 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
MGLL Q99685 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR1I3 Q14994 1/20 0.35

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
SCHEMBL1946848 0.91 TP53 (0.48) MAPTF2RL3BRAFLMNATP53
SCHEMBL1944803 0.88 NR1H4 (0.48) MAPTF2RL3LMNATP53NPC1
SCHEMBL1945999 0.87 F2RL3 (0.45) MAPTF2RL3LMNATP53SMN1; SMN2
SCHEMBL1944780 0.85 FYN (0.45) MAPTBRAFLMNATP53HDAC3
SCHEMBL1948473 0.84 MAPT (0.38) MAPTF2RL3BRAFLMNATP53
SCHEMBL1945508 0.83 F2RL3 (0.50) MAPTF2RL3LMNATP53NPC1
SCHEMBL15603233 0.83 FYN (0.44) MAPTF2RL3LMNATP53NPC1
SCHEMBL1947245 0.82 FYN (0.52) MAPTF2RL3LMNASMN1; SMN2NR1H4
SCHEMBL1947023 0.82 F2RL3 (0.43) MAPTF2RL3LMNATP53NPC1
SCHEMBL1947352 0.81 F2RL3 (0.52) MAPTF2RL3TP53NPC1RAB9A

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 MAPT 4021/4885F2RL3 1121/4885BRAF 186/4885

“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.