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.

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