SCHEMBL10067628

SCHEMBL10067628

CCNC(=O)C(C)(C)Nc1ncnc(C2CNc3ncccc32)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.33
SSTR4 P31391 1/20 0.32
JUN P05412 1/20 0.30
CDK2 P24941 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL10067793 0.87 ROCK2 (0.34) RIPK1SSTR4JUNCDK2MAPK8
SCHEMBL14712327 0.77 PLK4 (0.33) SSTR4
SCHEMBL13059351 0.75 SSTR4 (0.30) SSTR4
SCHEMBL14327554 0.75
SCHEMBL13060172 0.73 IRAK4 (0.32)
SCHEMBL13059375 0.73 HCRTR1 (0.31) SSTR4
SCHEMBL10067408 0.72 BCL6 (0.34) JUNCDK2MAPK8MAPK9MAPK10
SCHEMBL13059470 0.71 PLK4 (0.43) SSTR4
SCHEMBL13215364 0.71 PLK4 (0.34) SSTR4
SCHEMBL13060167 0.69 SSTR4 (0.30) SSTR4

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-20120165307-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20100311743-A1 Azaindoles Useful as Inhibitors of Janus Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 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 (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-20120165307-A1 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES JAK3, JAK1, JAK2 RIPK1 214/4885SSTR4 3684/4885JUN 1095/4885
US-20100311743-A1 Azaindoles Useful as Inhibitors of Janus Kinases JAK3, JAK1, JAK2 RIPK1 214/4885SSTR4 3684/4885JUN 1095/4885

“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.