SCHEMBL644540

SCHEMBL644540

Cc1ccccc1-n1c(O)nnc1-c1cc(S(=O)(=O)N(C)Cc2cccnc2)c(O)cc1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.43
HSP90AB1 P08238 6/20 0.43
PDE7A Q13946 1/20 0.37
NAMPT P43490 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL645746 0.92 HSP90AA1 (0.51) HSP90AA1HSP90AB1NAMPTTDP1PDE4A
SCHEMBL645832 0.91 HSP90AA1 (0.48) HSP90AA1HSP90AB1NAMPTTDP1POLB
SCHEMBL645783 0.91 HSP90AA1 (0.46) HSP90AA1HSP90AB1POLB
SCHEMBL646963 0.90 HSP90AA1 (0.43) HSP90AA1HSP90AB1NAMPTPOLB
SCHEMBL646605 0.87 HSP90AA1 (0.49) HSP90AA1HSP90AB1TDP1POLB
SCHEMBL646952 0.87 HSP90AA1 (0.44) HSP90AA1HSP90AB1POLB
SCHEMBL646611 0.87 HSP90AA1 (0.41) HSP90AA1HSP90AB1HSD17B10
SCHEMBL646733 0.86 HSP90AA1 (0.45) HSP90AA1HSP90AB1NAMPTPOLB
SCHEMBL645469 0.86 HSP90AA1 (0.42) HSP90AA1HSP90AB1POLB
SCHEMBL647278 0.85 HSP90AA1 (0.47) HSP90AA1HSP90AB1POLB

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-2023922-B1 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2012-07-11 EP claimed
US-8119795-B2 Triazole derivatives II MERCK PATENT GMBH (DE) 2012-02-21 US claimed
US-20100022540-A1 TRIAZOLE DERIVATIVES II MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US claimed
EP-2023922-B1 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2012-07-11 EP 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-20100022540-A1 TRIAZOLE DERIVATIVES II HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885PDE7A 4219/4885

“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.