SCHEMBL1945259

SCHEMBL1945259

COc1ccc(CNc2nn3cc(-c4cncc(OC)c4)nc3s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.67
F2RL3 Q96RI0 4/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 5/20 0.45
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.42
TP53 P04637 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
SCHEMBL1944208 0.93 FYN (0.58) FYNF2RL3CA12CA1CA2
SCHEMBL1945148 0.93 FYN (0.66) FYNF2RL3CA12CA1CA2
SCHEMBL1945197 0.93 FYN (0.66) FYNF2RL3CA12CA1CA2
SCHEMBL1945066 0.91 FYN (0.56) FYNF2RL3CA12CA1CA2
SCHEMBL1945239 0.88 FYN (0.55) FYNF2RL3LMNATP53
SCHEMBL1945852 0.87 F2 (0.55) FYNF2RL3MAPTLMNA
SCHEMBL1946899 0.86 F2RL3 (0.57) FYNF2RL3CA12CA1CA2
SCHEMBL15603219 0.85 F2RL3 (0.58) FYNF2RL3CA12CA1CA2
SCHEMBL1947352 0.84 F2RL3 (0.52) FYNF2RL3CA12CA1CA2
SCHEMBL1945315 0.84 MAPT (0.53) FYNF2RL3CA12CA1CA2

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 1977/4885F2RL3 1121/4885CA12 4385/4885

“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.