SCHEMBL23513629

SCHEMBL23513629

CC(C)NC1CCN(C(=O)CC#N)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.43
JAK3 P52333 15/20 0.42
JAK2 O60674 12/20 0.42
JAK1 P23458 9/20 0.41
TYK2 P29597 2/20 0.39
KCNH2 Q12809 1/20 0.39
CTSK P43235 1/20 0.39
CYP2D6 P10635 1/20 0.38
MCHR1 Q99705 1/20 0.38
MAP4K3 Q8IVH8 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
DCLK1 O15075 1/20 0.38
ROCK2 O75116 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
RET P07949 1/20 0.38
PRKCA P17252 1/20 0.38
MARK3 P27448 1/20 0.38
KDR P35968 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
SCHEMBL23513567 0.86 KDM5A (0.40) KDM5AJAK3JAK2JAK1TYK2
SCHEMBL26286124 0.84 JAK2 (0.41) KDM5AJAK3JAK2JAK1TYK2
SCHEMBL19229772 0.81 EPHX2 (0.55) CYP2D6MCHR1
SCHEMBL16718811 0.80 JAK3 (0.42) KDM5AJAK3JAK2JAK1TYK2
SCHEMBL12463610 0.79 JAK3 (0.49) JAK3JAK2JAK1
SCHEMBL13740949 0.79 ALDH1A1 (0.42) JAK3JAK2JAK1TYK2
SCHEMBL12384552 0.79 ALDH1A1 (0.42) JAK3JAK2JAK1TYK2
SCHEMBL24775473 0.78 CYP2D6 (0.44) CYP2D6MCHR1
SCHEMBL12384243 0.78 JAK2 (0.39) JAK3JAK2JAK1TYK2KCNH2
SCHEMBL16718806 0.78 ALDH1A1 (0.42) KDM5AJAK3JAK2JAK1TYK2

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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION PDCD1, CD274, PDCD1LG2 KDM5A 1442/4885JAK3 1914/4885JAK2 1323/4885

“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.