SCHEMBL1943151

SCHEMBL1943151

COc1ccc(-c2cn3nc(NCc4ccncc4)sc3n2)cn1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.67
CYP19A1 P11511 2/20 0.47
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
F2RL3 Q96RI0 4/20 0.41
NAMPT P43490 1/20 0.40
HDAC1 Q13547 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
SCHEMBL2253417 0.91 FYN (0.54) FYNF2RL3HDAC1
SCHEMBL1946389 0.90 FYN (0.68) FYNCYP19A1CDK2GSK3BF2RL3
SCHEMBL1946444 0.90 FYN (0.53) FYNF2RL3
SCHEMBL1945244 0.89 FYN (0.68) FYNCYP19A1CDK2GSK3BF2RL3
SCHEMBL1946857 0.89 FYN (0.52) FYNF2RL3
SCHEMBL1945505 0.87 FYN (0.51) FYNF2RL3HDAC1
SCHEMBL2253541 0.85 FYN (0.59) FYNF2RL3
SCHEMBL1944699 0.84 FYN (0.50) FYNF2RL3
SCHEMBL1945148 0.83 FYN (0.66) FYNF2RL3
SCHEMBL1943707 0.82 FYN (0.64) 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 1977/4885CYP19A1 1363/4885CDK2 59/4885

“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.