SCHEMBL5550850

SCHEMBL5550850

Nc1sc(-c2ccccc2)cc1C(=O)N[C@H]1CCCN(C(=O)O)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 9/20 0.59
▸ GAA P10253 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ CDK2AP1 O14519 1/20 0.48
▸ ALOX15 P16050 7/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ USP30 Q70CQ3 1/20 0.48
▸ IKBKB O14920 1/20 0.47

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
SCHEMBL5554697 0.97 CHEK1 (0.56) CHEK1GAAMAPTGFERCDK2AP1
SCHEMBL5550837 0.87 CHEK1 (0.79) CHEK1CDK2AP1
SCHEMBL1563670 0.86 USP30 (0.68) CHEK1GAAMAPTGFERALOX15
SCHEMBL5556420 0.85 CHEK1 (0.65) CHEK1CDK2AP1
SCHEMBL1564584 0.84 USP30 (0.64) CHEK1GAAMAPTGFERALOX15
SCHEMBL5554681 0.84 CHEK1 (0.76) CHEK1CDK2AP1
SCHEMBL4214970 0.81 CHEK1 (0.57) CHEK1CDK2AP1ALOX15
SCHEMBL27677400 0.81 CHEK1 (0.54) CHEK1GAAMAPTGFERCDK2AP1
SCHEMBL27677393 0.81 CHEK1 (0.54) CHEK1GAAMAPTGFERCDK2AP1
SCHEMBL1127833 0.78 CHEK1 (0.51) CHEK1MAPTGFERCDK2AP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 — — EP disclosed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 — — WO 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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 CHEK1 1/4885GAA 2518/4885MAPT 3514/4885

“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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