SCHEMBL20913530

SCHEMBL20913530

CC1CN(C(=O)c2cnc(Cl)cn2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 2/20 0.48
SPR P35270 5/20 0.43
GPR119 Q8TDV5 5/20 0.41
MAP4K4 O95819 1/20 0.41
POLB P06746 1/20 0.40
HDAC1 Q13547 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NTRK1 P04629 3/20 0.39
GHSR Q92847 1/20 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
SCHEMBL19474650 1.00 SETD7 (0.48) SETD7SPRGPR119MAP4K4POLB
SCHEMBL19503514 1.00 SETD7 (0.48) SETD7SPRGPR119MAP4K4POLB
SCHEMBL3294698 0.83 POLB (0.55) GPR119POLBMEN1MAPTTSHR
SCHEMBL20913506 0.82 SETD7 (0.55) SETD7SPRGPR119MAP4K4POLB
SCHEMBL20913505 0.82 SETD7 (0.55) SETD7SPRGPR119MAP4K4POLB
SCHEMBL23560874 0.80 MAP4K4 (0.54) SETD7GPR119MAP4K4HDAC1
SCHEMBL4684385 0.76 SETD7 (0.49) SETD7SPRGPR119MAP4K4HDAC1
SCHEMBL4681133 0.76 SETD7 (0.49) SETD7SPRGPR119MAP4K4HDAC1
SCHEMBL21884859 0.76 SETD7 (0.49) SETD7SPRGPR119MAP4K4HDAC1
SCHEMBL4336794 0.75 SETD7 (0.52) SETD7SPRMAP4K4MEN1MAPT

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-10781205-B2 Conjugates comprising RIPK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-22 US disclosed
US-20190119271-A1 CONJUGATES COMPRISING RIPK2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-25 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-10781205-B2 Conjugates comprising RIPK2 inhibitors RIPK2, RIPK1, RIPK4 SETD7 2808/4885SPR 3259/4885GPR119 2257/4885
US-20190119271-A1 CONJUGATES COMPRISING RIPK2 INHIBITORS RIPK2, RIPK1, RIPK4 SETD7 2808/4885SPR 3259/4885GPR119 2257/4885

“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.