SCHEMBL4498049

SCHEMBL4498049

CC(C)(C)c1ccc(-c2cc3c(N4CCOCC4)ncc(C(N)=O)c3s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.65
▸ JAK1 P23458 11/20 0.65
▸ TYK2 P29597 11/20 0.65
▸ JAK3 P52333 11/20 0.65
▸ CHEK1 O14757 5/20 0.54
▸ PRKDC P78527 1/20 0.49
▸ AURKA O14965 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL4491370 0.89 CHEK1 (0.54) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL4560032 0.88 CHEK1 (0.62) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13606531 0.87 CHEK1 (0.56) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL4497921 0.86 CHEK1 (0.56) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13606528 0.81 CHEK1 (0.56) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13606556 0.79 JAK2 (1.00) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL4502872 0.73 JAK2 (0.56) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13606530 0.73 JAK2 (0.56) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL4564373 0.72 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL4501297 0.72 CHEK1 (0.55) JAK2JAK1TYK2JAK3CHEK1

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 10 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-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-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
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 — — US disclosed
US-20040097485-A1 Antiinflammation agents TULARIK INC. 2004-05-20 — — 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 (2 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 JAK2 1101/4885JAK1 1726/4885TYK2 2825/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA JAK2 1101/4885JAK1 1726/4885TYK2 2825/4885

“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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