SCHEMBL4494423

SCHEMBL4494423

CC(C)(C)c1ccc(-c2cc3c(NC4CCCCC4)ncc(C#N)c3s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.46
▸ KCNH2 Q12809 1/20 0.41
▸ CD38 P28907 1/20 0.40

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
SCHEMBL5813228 0.83 CHEK1 (0.42) CHEK1KCNH2
SCHEMBL4564373 0.81 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL4506115 0.77 JAK2 (0.43) —
SCHEMBL14543510 0.77 CHEK1 (0.48) CHEK1CD38
SCHEMBL4349145 0.76 CHEK1 (0.69) CHEK1KCNH2
SCHEMBL4509789 0.72 CHEK1 (0.62) CHEK1KCNH2
SCHEMBL3082677 0.69 CHEK1 (0.69) CHEK1KCNH2
SCHEMBL13606527 0.69 CHEK1 (0.65) CHEK1KCNH2
SCHEMBL4357649 0.69 CHEK1 (0.47) CHEK1KCNH2
SCHEMBL4342847 0.69 CHEK1 (0.47) CHEK1KCNH2

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 13 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
EP-1556053-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2006-04-19 — — EP disclosed
EP-1556053-A1 ANTIINFLAMMATION AGENTS Amgen Inc. (US) 2005-07-27 — — EP disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 — — WO 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 CHEK1 3814/4885KCNH2 4874/4885CD38 2063/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA CHEK1 3814/4885KCNH2 4874/4885CD38 2063/4885

“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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