SCHEMBL5378804

SCHEMBL5378804

O=C(O)c1ccc(-c2nc(NC3CC3)ncc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.54
CSNK2B P67870 3/20 0.54
ADORA1 P30542 4/20 0.50
ADORA2A P29274 2/20 0.50
HCAR3 P49019 3/20 0.49
MAPK1 P28482 7/20 0.48
CSNK2A1 P68400 4/20 0.48
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
ADORA2B P29275 1/20 0.46

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
SCHEMBL5378885 0.86 MAPK1 (0.49) CSNK2A2CSNK2BADORA1ADORA2AMAPK1
SCHEMBL13057432 0.84 MAPK1 (0.50) ADORA1ADORA2AMAPK1CCNB2CCNE2
SCHEMBL31334063 0.82 ADORA1 (0.46) ADORA1ADORA2AMAPK1CCNB2CCNE2
SCHEMBL31334809 0.82 ADORA1 (0.46) ADORA1ADORA2AMAPK1CCNB2CCNE2
SCHEMBL31335004 0.79 MAPK3 (0.51) ADORA1ADORA2AMAPK1CCNB2CCNE2
SCHEMBL31334715 0.79 MAPK3 (0.51) ADORA1ADORA2AMAPK1CCNB2CCNE2
SCHEMBL31334077 0.77 MAPK1 (0.45) ADORA1ADORA2AMAPK1CCNB2CCNE2
SCHEMBL31333299 0.76 ADORA1 (0.53) CSNK2A2CSNK2BADORA1ADORA2AMAPK1
SCHEMBL31334419 0.76 ADORA1 (0.53) CSNK2A2CSNK2BADORA1ADORA2AMAPK1
SCHEMBL22097892 0.76 CDH1 (0.45) CSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304071-B2 Protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-04 US disclosed
CN-1863780-A Protein kinase inhibitor and application thereof VERTEX PHARMA (US) 2006-11-15 CN disclosed
EP-1546117-A2 PROTEIN KINASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2005-06-29 EP disclosed
US-20040106615-A1 Protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-06-03 US disclosed
WO-2004016597-A2 PROTEIN KINASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-26 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-20040106615-A1 Protein kinase inhibitors and uses thereof JAK1, RAF1, PRKCQ CSNK2A2 246/4885CSNK2B 222/4885ADORA1 3891/4885

“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.