SCHEMBL13606528

SCHEMBL13606528

CC(C)(C)c1ccc(-c2cc3c(NCCN4CCOCC4)ncc(C(N)=O)c3s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 9/20 0.56
▸ JAK2 O60674 10/20 0.56
▸ JAK3 P52333 10/20 0.56
▸ JAK1 P23458 9/20 0.56
▸ TYK2 P29597 9/20 0.56
▸ KCNH2 Q12809 1/20 0.45
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL4498049 0.81 JAK2 (0.65) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL4501297 0.79 CHEK1 (0.55) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL5796180 0.78 MERTK (0.46) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL4504684 0.77 CHEK1 (0.54) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL13606530 0.77 JAK2 (0.56) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL4502294 0.76 JAK2 (0.55) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL4502872 0.75 JAK2 (0.56) CHEK1JAK2JAK3JAK1TYK2
SCHEMBL4564373 0.74 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL4509789 0.74 CHEK1 (0.62) CHEK1KCNH2
SCHEMBL13606546 0.73 JAK2 (0.70) CHEK1JAK2JAK3JAK1TYK2

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 3814/4885JAK2 1101/4885JAK3 1936/4885

“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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