SCHEMBL12797887

SCHEMBL12797887

[2H]C([2H])([2H])n1ccc2cc(Nc3cnccn3)nc(NC[C@@H]3CCCO3)c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 6/20 0.42
▸ TNK2 Q07912 10/20 0.38
▸ HCAR3 P49019 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ PDE5A O76074 2/20 0.36

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
SCHEMBL12796051 0.94 SYK (0.46) SYKTNK2CHEK1JAK2ABL1
SCHEMBL1158761 0.94 SYK (0.46) SYKTNK2CHEK1JAK2ABL1
SCHEMBL1158888 0.94 SYK (0.46) SYKTNK2CHEK1JAK2ABL1
SCHEMBL12797891 0.89 SYK (0.43) SYKTNK2CHEK1JAK2ABL1
SCHEMBL1158318 0.82 SYK (0.47) SYKTNK2CHEK1JAK2ABL1
SCHEMBL1158434 0.82 SYK (0.47) SYKTNK2
SCHEMBL12796042 0.81 SYK (0.60) SYKCHEK1ALK
SCHEMBL12795846 0.79 SYK (0.68) SYK
SCHEMBL12797782 0.79 SYK (0.68) SYK
SCHEMBL12796045 0.77 SYK (0.42) SYKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8704022-B2 Process for producing high purity exo-alkenylnorbornene PROMERUS, LLC (US) 2014-04-22 — — US disclosed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 — — 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-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS SYK, BTK, LYN SYK 1/4885TNK2 120/4885HCAR3 2982/4885

“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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