SCHEMBL19652135

SCHEMBL19652135

CN(C(=O)C(C)(C)C)C1CCN(c2ncc(C#N)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CHRM4 P08173 10/20 0.39
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
JAK1 P23458 1/20 0.38
PARP1 P09874 1/20 0.38
RORC P51449 1/20 0.37
TP53 P04637 1/20 0.37
CHRM2 P08172 2/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL19658459 0.86 JAK2 (0.42) CHRM5CHRM1CHRM3CHRM4JAK2
SCHEMBL24962330 0.85 GPR119 (0.44) AAK1CHRM5CHRM1CHRM3CHRM4
SCHEMBL19652119 0.85 AAK1 (0.42) AAK1GPR119
SCHEMBL19652137 0.79 CTSS (0.48) AAK1CHRM4CHRM2GPR119
SCHEMBL17753766 0.77 JAK3 (0.40) CHRM5CHRM1CHRM3CHRM4JAK2
SCHEMBL19652156 0.77 SSTR4 (0.49) CHRM5CHRM1CHRM3CHRM4TP53
SCHEMBL3667948 0.75 AOC3 (0.37) JAK3
SCHEMBL19652198 0.74 GPR119 (0.59) AAK1GPR119
SCHEMBL19652111 0.73 KDM4E (0.51)
SCHEMBL19652105 0.72 KDM4E (0.54) TP53GPR119

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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 AAK1 2725/4885CHRM5 1660/4885CHRM1 1348/4885

“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.