SCHEMBL19658656

SCHEMBL19658656

CC(=O)NC1CCN(c2ncc(C#N)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.50
PIK3CA P42336 2/20 0.47
MTOR P42345 2/20 0.47
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
SMPD3 Q9NY59 1/20 0.44
IRAK4 Q9NWZ3 7/20 0.44
TP53 P04637 1/20 0.42
AKT1 P31749 1/20 0.42
SSTR4 P31391 1/20 0.42
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CHRM4 P08173 2/20 0.41

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
SCHEMBL19652156 0.86 SSTR4 (0.49) CKS1BSKP1SKP2IRAK4TP53
SCHEMBL1345454 0.83 JAK2 (0.55) LRRK2PIK3CAMTORCKS1BSKP1
SCHEMBL19658643 0.83 CKS1B (0.50) PIK3CAMTORCKS1BSKP1SKP2
SCHEMBL19658659 0.82 CKS1B (0.49) PIK3CAMTORCKS1BSKP1SKP2
SCHEMBL24962329 0.81 HRH4 (0.44) TP53CHRM5CHRM1CHRM3CHRM4
SCHEMBL19658461 0.80 MEN1 (0.59) CKS1BSKP1SKP2
SCHEMBL28982919 0.78 ACACB (0.48) CKS1BSKP1SKP2SMPD3SSTR4
SCHEMBL17753020 0.78 IDH1 (0.39) IRAK4TP53CHRM5CHRM1CHRM3
SCHEMBL19658459 0.77 JAK2 (0.42) TP53CHRM5CHRM1CHRM3CHRM4
SCHEMBL19658395 0.77 KDM4E (0.51) LRRK2CKS1BSKP1SKP2

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-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
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 (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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 LRRK2 416/4885PIK3CA 3080/4885MTOR 1667/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 LRRK2 416/4885PIK3CA 3080/4885MTOR 1667/4885

“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.