SCHEMBL6071962

SCHEMBL6071962

CC(C)c1cccc2nc(N)c(C#N)c(C3CCNCC3)c12

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.44
PIK3CD O00329 14/20 0.42
PIK3R2 O00459 12/20 0.42
PIK3CG P48736 2/20 0.38

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
SCHEMBL6071514 0.85 IKBKB (0.47) IKBKBPIK3CDPIK3R2
SCHEMBL6072026 0.70 IKBKB (0.51) IKBKBPIK3CDPIK3R2PIK3CG
Hydrochloric Acid SCHEMBL7021906 0.66 IKBKB (0.40) IKBKB
SCHEMBL6071963 0.66 NSD2 (0.51) PIK3CD
SCHEMBL6071518 0.64 HTR3A (0.45) IKBKB
SCHEMBL6071597 0.63 IKBKB (0.47) IKBKBPIK3CDPIK3R2
SCHEMBL6071657 0.62 ALDH1A1 (0.42) PIK3CDPIK3R2
SCHEMBL14491957 0.61 IKBKB (1.00) IKBKB
SCHEMBL6071662 0.61 CACNA2D1 (0.43) PIK3CDPIK3R2PIK3CG
SCHEMBL20889626 0.61 PDCD1 (0.39) IKBKBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 IKBKB 603/4885PIK3CD 814/4885PIK3R2 982/4885

“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.