SCHEMBL1944780

SCHEMBL1944780

Fc1ccc(CNc2nn3cc(-c4cccnc4)nc3s2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.45
SCD O00767 1/20 0.45
BCHE P06276 1/20 0.44
BRAF P15056 1/20 0.43
MAPT P10636 7/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
F2 P00734 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
GRM4 Q14833 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL1947245 0.90 FYN (0.52) FYNBCHEMAPTALDH1A1LMNA
SCHEMBL1946848 0.89 TP53 (0.48) BRAFMAPTTP53LMNA
SCHEMBL1945749 0.86 MAPT (0.52) FYNMAPTALDH1A1F2TP53
SCHEMBL1945828 0.85 MAPT (0.40) FYNBRAFMAPTHDAC3HDAC1
SCHEMBL15603233 0.83 FYN (0.44) FYNMAPTTP53LMNA
SCHEMBL1945033 0.83 FYN (0.54) FYNMAPTALDH1A1F2HDAC3
SCHEMBL1944440 0.83 FYN (0.62) FYNMAPTCLK4ALDH1A1F2
SCHEMBL1948473 0.83 MAPT (0.38) FYNBRAFMAPTDYRK1ACLK4
SCHEMBL1945408 0.83 FYN (0.46) FYNSCDMAPTHDAC3HDAC1
SCHEMBL1944803 0.82 NR1H4 (0.48) FYNMAPTTP53LMNA

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 1977/4885SCD 4877/4885BCHE 4814/4885

“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.