SCHEMBL4095490

SCHEMBL4095490

Cc1c(-c2ccc(Cl)cc2)sc(N)c1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 14/20 0.56
MDM2 Q00987 14/20 0.56
GRM6 O15303 6/20 0.54
GRM5 P41594 1/20 0.51
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL6613252 0.89 TP53 (0.53) TP53MDM2GRM6GRM5ALDH1A1
SCHEMBL1929543 0.84 GRM6 (0.70) TP53MDM2GRM6GRM5ALDH1A1
SCHEMBL4099130 0.84 GRM6 (0.74) GRM6GRM5ALDH1A1GAAMAPT
SCHEMBL6157860 0.84 TP53 (0.75) TP53MDM2GRM6GRM5ALDH1A1
SCHEMBL10489596 0.83 GRM6 (0.76) TP53MDM2GRM6GRM5ALDH1A1
SCHEMBL25758961 0.81 GRM6 (0.76) TP53MDM2GRM6GRM5ALDH1A1
SCHEMBL1383438 0.81 ALDH1A1 (0.47) TP53MDM2ALDH1A1GAAMAPT
SCHEMBL27503307 0.76 GAA (0.50) TP53MDM2GRM6ALDH1A1GAA
SCHEMBL27461391 0.74 GRM6 (0.60) TP53MDM2GRM6GRM5ALDH1A1
SCHEMBL5212225 0.74 RIPK2 (0.46) TP53GRM6GRM5ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
CN-1243747-C Heteroaromatic carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2006-03-01 CN disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
CN-1425012-A Heteroaromatic carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2003-06-18 CN disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 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 (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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT TP53 1639/4885MDM2 2183/4885GRM6 2715/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 TP53 2971/4885MDM2 3275/4885GRM6 2742/4885

“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.