SCHEMBL213661

SCHEMBL213661

Cc1ccc(Br)cc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2cccc(OC3CCNCC3)c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.33
HSP90AB1 P08238 4/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
CHEK2 O96017 1/20 0.30

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
SCHEMBL214752 0.84 BTK (0.32)
SCHEMBL215894 0.81 POLB (0.36)
SCHEMBL214573 0.80 CHUK (0.39)
SCHEMBL214638 0.78 PARP1 (0.35)
SCHEMBL215755 0.77 CHEK2 (0.39) CHEK2
SCHEMBL4104869 0.77
Hydrochloric Acid SCHEMBL213649 0.77 CHEK2 (0.38) TOP2AHSP90AB1CHEK2
SCHEMBL216287 0.74 CHEK2 (0.35) CHEK2
SCHEMBL2735383 0.74 TOP2A (0.42) TOP2AHSP90AB1
SCHEMBL215859 0.74 TOP2A (0.42) TOP2AHSP90AB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 TOP2A 1957/4885HSP90AB1 1319/4885SLC6A4 4773/4885

“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.