SCHEMBL5000965

SCHEMBL5000965

CCN(CC)CCOc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C(=O)O)C3C(C)(C)C)c(N)s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 9/20 0.50
▸ CDK2AP1 O14519 4/20 0.49
▸ HRH3 Q9Y5N1 4/20 0.42
▸ CHRM2 P08172 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GFER P55789 1/20 0.34

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
SCHEMBL5007410 0.90 CHEK1 (0.65) CHEK1CDK2AP1
SCHEMBL4997523 0.90 CHEK1 (0.65) CHEK1CDK2AP1
SCHEMBL5000957 0.88 CHEK1 (0.54) CHEK1CDK2AP1HRH3CHRM2SYK
Trifluoroacetic Acid SCHEMBL5001266 0.87 CHEK1 (0.61) CHEK1CDK2AP1
SCHEMBL1563673 0.83 GAA (0.48) CHEK1ALOX15GAAMAPTGFER
SCHEMBL4214970 0.82 CHEK1 (0.57) CHEK1CDK2AP1HRH3CHRM2ALOX15
SCHEMBL1564588 0.81 GAA (0.47) CHEK1ALOX15GAAMAPTGFER
SCHEMBL5000963 0.79 CHEK1 (0.54) CHEK1CDK2AP1
SCHEMBL5004723 0.75 CHEK1 (0.53) CHEK1CDK2AP1
SCHEMBL4994950 0.75 CHEK1 (0.53) CHEK1CDK2AP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 — — US disclosed
US-20060281666-A1 Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-12-14 — — 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-20060281666-A1 Substitute thiophenes and uses therof TYMP, TPMT, MGMT CHEK1 602/4885CDK2AP1 2225/4885HRH3 3248/4885

“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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