SCHEMBL1948016

SCHEMBL1948016

COc1ccc(-c2cn3nc(NCCCO)sc3n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.46
PDE5A O76074 2/20 0.43
PDE6A P16499 2/20 0.43
F2RL3 Q96RI0 9/20 0.41
ABL1 P00519 1/20 0.41
PIK3CG P48736 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1946042 0.87 FYN (0.47) FYNF2RL3PIK3CGTP53MAPT
SCHEMBL1945978 0.83 FYN (0.47) FYNF2RL3TP53MAPTSMN1; SMN2
SCHEMBL1946389 0.83 FYN (0.68) FYNF2RL3MAPT
SCHEMBL1943656 0.82 FYN (0.50) FYNF2RL3TP53
SCHEMBL1944720 0.81 FYN (0.48) FYNPDE5APDE6AF2RL3MAPT
SCHEMBL2253417 0.81 FYN (0.54) FYNF2RL3TP53SMN1; SMN2
SCHEMBL1945061 0.81 MKNK1 (0.44) FYNPDE5AF2RL3TP53MAPT
SCHEMBL1946123 0.81 CD274 (0.55) FYNPDE5APDE6AMAPT
SCHEMBL1946444 0.80 FYN (0.53) FYNF2RL3TP53MAPT
SCHEMBL1943151 0.80 FYN (0.67) FYNF2RL3

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 1977/4885PDE5A 1490/4885PDE6A 2817/4885

“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.