SCHEMBL6071597

SCHEMBL6071597

Cc1c(C#N)c(N)nc2cccc(C3CCCN3)c12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.47
TAAR1 Q96RJ0 2/20 0.37
PIK3CD O00329 6/20 0.37
PIK3R2 O00459 5/20 0.37
CHUK O15111 1/20 0.35
PGR P06401 2/20 0.35

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 0.68 IKBKB (0.47) IKBKBPIK3CDPIK3R2CHUK
SCHEMBL14028277 0.67 IKBKB (0.94) IKBKBCHUK
SCHEMBL6071879 0.66 KDM4E (0.39) PIK3CD
SCHEMBL31648194 0.66 HTR2C (0.54)
SCHEMBL22721015 0.66 HTR2C (0.54)
SCHEMBL6072086 0.65 IDO1 (0.43)
SCHEMBL6071637 0.65 ALDH1A1 (0.39) PIK3CD
SCHEMBL6071420 0.65 KDM4E (0.39)
SCHEMBL6072026 0.65 IKBKB (0.51) IKBKBPIK3CDPIK3R2CHUK
SCHEMBL23323600 0.64 HCRTR2 (0.43) IKBKBTAAR1

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 603/4885TAAR1 1996/4885PIK3CD 814/4885

“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.