SCHEMBL8988012

SCHEMBL8988012

C=CC(=O)Nc1cnc2c(c1)C(c1cccc(N3C[C@@H](C)N(C(C)=O)[C@@H](C)C3)n1)CN2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.38
BTK Q06187 5/20 0.38
EIF2AK4 Q9P2K8 2/20 0.35
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
TGM3 Q08188 1/20 0.35
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
EGFR P00533 6/20 0.34
ITK Q08881 1/20 0.34
WNT3A P56704 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL8990365 0.89 EIF2AK4 (0.36) EIF2AK4WNT3A
SCHEMBL8990167 0.87 KMT2A (0.36) EIF2AK4
SCHEMBL8988167 0.84 EIF2AK4 (0.34) EIF2AK4WNT3A
SCHEMBL8990162 0.84 TSHR (0.38) EIF2AK4WNT3A
SCHEMBL13933293 0.84 EIF2AK4 (0.39) EIF2AK4WNT3A
SCHEMBL8987971 0.84 EIF2AK4 (0.40) EIF2AK4WNT3A
SCHEMBL8985979 0.83 EIF2AK4 (0.38) EIF2AK4
SCHEMBL8987864 0.81 EIF2AK4 (0.38) EIF2AK4
SCHEMBL12341821 0.81 EIF2AK4 (0.37) EIF2AK4
SCHEMBL8940851 0.78 BTK (0.48) JAK3BTKITK

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-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 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 (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-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 JAK3 1/4885BTK 29/4885EIF2AK4 462/4885

“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.