SCHEMBL1944889

SCHEMBL1944889

CC(=O)Nc1cccc(-c2cn3nc(NCCc4ccncc4)sc3n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.68
BRAF P15056 3/20 0.52
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
CYP17A1 P05093 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
EPHB4 P54760 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
PTGIR P43119 1/20 0.46
RET P07949 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK2 O75116 1/20 0.42

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
SCHEMBL1651219 0.90 FYN (0.55) FYNBRAFALDH1A1MEN1KMT2A
SCHEMBL1945369 0.87 FYN (0.52) FYNBRAFALDH1A1MEN1KMT2A
SCHEMBL1948389 0.86 FYN (0.52) FYNBRAFALDH1A1MEN1KMT2A
SCHEMBL1946701 0.85 FYN (0.48) FYNBRAFALDH1A1MEN1KMT2A
SCHEMBL1946791 0.84 ALDH1A1 (0.49) FYNBRAFALDH1A1MEN1KMT2A
SCHEMBL1945503 0.84 FYN (0.69) FYNNPC1
SCHEMBL15603221 0.83 ALDH1A1 (0.63) FYNBRAFALDH1A1MEN1KMT2A
SCHEMBL1945826 0.83 KDM4E (0.52) FYNBRAFALDH1A1MEN1KMT2A
SCHEMBL1946575 0.83 F2RL3 (0.52) FYNALDH1A1MAPTEPHB4NPC1
SCHEMBL1945387 0.83 F2RL3 (0.52) FYNMAPTCYP17A1CYP11B1CYP11B2

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 1977/4885BRAF 186/4885ALDH1A1 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.