SCHEMBL16604692

SCHEMBL16604692

Cc1cc(N[C@H]2CC[C@H](C)CC2)c2c(C(C)C)nsc2n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.36
CHRM4 P08173 4/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
GFER P55789 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL16604684 0.78 MCHR1 (0.33)
SCHEMBL16604681 0.78 IRAK4 (0.43) IRAK4
SCHEMBL16604690 0.73 CHRM4 (0.39) IRAK4CHRM4ALDH1A1KDM4E
SCHEMBL26865993 0.70
SCHEMBL16604691 0.66 IKBKB (0.37) ALDH1A1TP53KDM4E
SCHEMBL16604680 0.65
SCHEMBL23334818 0.62 IRAK4 (0.41) IRAK4ALDH1A1TP53GFERKDM4E
SCHEMBL7357755 0.59 MCHR1 (0.43) IRAK4KDM4E
SCHEMBL7364277 0.59 MCHR1 (0.40) ALDH1A1KDM4E
SCHEMBL16604731 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170035766-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-02-09 US disclosed
US-9518065-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-12-13 US disclosed
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-04-02 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-20170035766-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885CHRM4 4550/4885ALDH1A1 4076/4885
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885CHRM4 4550/4885ALDH1A1 4076/4885

“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.