SCHEMBL1945268

SCHEMBL1945268

COc1ccc(CNc2nn3cc(-c4ccc(OCCCN(C)C)nc4)nc3s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.48
FYN P06241 9/20 0.45
F2RL3 Q96RI0 1/20 0.44
MAPT P10636 4/20 0.42
THRB P10828 1/20 0.42
RAD52 P43351 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL1945417 0.90 RAD52 (0.42) ATMFYNRAD52
SCHEMBL1943511 0.90 RAD52 (0.47) ATMFYNRAD52
SCHEMBL1946444 0.88 FYN (0.53) FYNF2RL3MAPTTHRBCA12
SCHEMBL1946860 0.85 FYN (0.42) ATMFYNMAPTRAD52TP53
SCHEMBL1945264 0.83 FYN (0.64) ATMFYN
SCHEMBL1945030 0.83 FYN (0.45) ATMFYNMAPTRAD52LMNA
SCHEMBL1945707 0.83 FYN (0.43) ATMFYNRAD52
SCHEMBL1945505 0.82 FYN (0.51) FYNF2RL3MAPTTHRBTP53
SCHEMBL1943191 0.82 ATM (0.44) ATMFYNRAD52
SCHEMBL1946857 0.80 FYN (0.52) FYNF2RL3MAPTTHRBCA12

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 ATM 551/4885FYN 1977/4885F2RL3 1121/4885

“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.