SCHEMBL13606533

SCHEMBL13606533

NC(=O)c1cnc(NC2CCC(O)CC2)c2cc(-c3ccc(OCCN4CCOCC4)cc3)sc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.53
▸ KCNH2 Q12809 3/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ JAK3 P52333 1/20 0.49

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
SCHEMBL13606546 0.83 JAK2 (0.70) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL13606535 0.80 CHEK1 (0.55) CHEK1KCNH2
SCHEMBL4509789 0.77 CHEK1 (0.62) CHEK1KCNH2
SCHEMBL13606532 0.77 CHEK1 (0.63) CHEK1KCNH2
SCHEMBL4494960 0.77 CHEK1 (0.63) CHEK1KCNH2
SCHEMBL3064125 0.76 CHEK1 (0.73) CHEK1KCNH2
SCHEMBL13606536 0.74 CHEK1 (0.59) CHEK1KCNH2
SCHEMBL763187 0.73 SYK (0.71) —
SCHEMBL13606528 0.73 CHEK1 (0.56) CHEK1KCNH2JAK2JAK1TYK2
SCHEMBL6437042 0.72 CHEK1 (0.82) CHEK1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 — — US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 — — US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 — — US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 — — US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 — — US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 — — 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-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA CHEK1 3814/4885KCNH2 4874/4885JAK2 1101/4885

“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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