SCHEMBL13951997

SCHEMBL13951997

CCNCCOc1cccc(-c2cc(C(=O)NC3CCCN(C(=O)O)C3)c(NC(=O)Nc3cnccn3)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 14/20 0.44
▸ CDK2AP1 O14519 7/20 0.44
▸ FAAH O00519 1/20 0.41
▸ HTR7 P34969 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.35

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
SCHEMBL4706488 0.91 CHEK1 (0.56) CHEK1CDK2AP1FAAHHTR7USP30
SCHEMBL5556375 0.88 CHEK1 (0.54) CHEK1CDK2AP1USP30
SCHEMBL5554768 0.85 CHEK1 (0.51) CHEK1CDK2AP1
SCHEMBL4702699 0.85 CHEK1 (0.54) CHEK1CDK2AP1FAAHKDM4E
SCHEMBL4211957 0.84 CHEK1 (0.54) CHEK1CDK2AP1FAAHUSP30
Trifluoroacetic Acid SCHEMBL4223931 0.83 CHEK1 (0.51) CHEK1CDK2AP1FAAHUSP30
SCHEMBL4210048 0.83 CHEK1 (0.44) CHEK1CDK2AP1KDM4E
SCHEMBL1562936 0.82 USP30 (0.55) CHEK1CDK2AP1USP30
SCHEMBL1563863 0.80 USP30 (0.53) CHEK1CDK2AP1USP30
SCHEMBL4703475 0.79 CHEK1 (0.53) CHEK1CDK2AP1FAAHHTR7USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 — — 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-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF TPMT, ABCG2, TYMP CHEK1 297/4885CDK2AP1 2722/4885FAAH 4544/4885

“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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