SCHEMBL5096420

SCHEMBL5096420

CS(=O)(=O)NC1(Nc2ncccn2)CCC(n2ncc3ccccc32)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
SCD O00767 1/20 0.36
CDK1 P06493 5/20 0.35
CCNB1 P14635 5/20 0.35
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
AURKA O14965 2/20 0.35
GPR119 Q8TDV5 6/20 0.35
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 0.34
KDM5A P29375 1/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
TFPI2 P48307 1/20 0.33

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
SCHEMBL5094151 0.78 MAPK8 (0.41) DDB1CRBNSCDCDK1CCNB1
SCHEMBL5096419 0.74 CDK1 (0.51) CDK1CCNB1CCNT1CDK9CDK7
SCHEMBL17404486 0.70 DDB1 (0.53) DDB1CRBNSCDMAPK8MAPK9
SCHEMBL25285417 0.70 DDB1 (0.48) DDB1CRBNSCDMAPK8KDM5A
SCHEMBL13135671 0.68 SCD (0.56) DDB1CRBNSCDKDM5ADRD2
SCHEMBL29303151 0.67 DDB1 (0.50) DDB1CRBNSCDMAPK8MAPK9
SCHEMBL31495775 0.67 DDB1 (0.50) DDB1CRBNSCDKDM5ATFPI2
SCHEMBL632949 0.67 TSHR (0.48) DDB1CRBNSCDKDM5ATFPI2
SCHEMBL29152986 0.66 DDB1 (0.49) DDB1CRBNSCDKDM5APDE9A
SCHEMBL631931 0.66 DDB1 (0.56) DDB1CRBNSCDMAPK8MAPK9

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-8399462-B2 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain ROCHE PALO ALTO LLC (US) 2013-03-19 US claimed
US-20080146565-A1 JNK modulators ROCHE PALO ALTO LLC 2008-06-19 US claimed

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-20080146565-A1 JNK modulators MAPKAPK2, MAPKAPK3, MAP3K10 DDB1 670/4885CRBN 2157/4885SCD 2631/4885

“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.