SCHEMBL26242000

SCHEMBL26242000

CCC(=CCNC(=O)c1nc(NC(=O)c2nc(N)cn2C)cn1C)CC

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
RPS6KA3 P51812 1/20 0.30

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
SCHEMBL12307514 0.78 RPS6KA2 (0.35) RPS6KA2HDAC1HDAC2HDAC8RPS6KA3
SCHEMBL5334047 0.78 RPS6KA2 (0.35) RPS6KA2HDAC1HDAC2HDAC8RPS6KA3
SCHEMBL14072191 0.76 RPS6KA3 (0.47) RPS6KA3
SCHEMBL30125599 0.76 HDAC1 (0.38) RPS6KA2HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL8894664 0.75 KDM4E (0.46) RPS6KA2HDAC1HDAC2HDAC8
SCHEMBL9386788 0.74 HDAC1 (0.34) RPS6KA2HDAC1HDAC2HDAC8RPS6KA3
SCHEMBL14072221 0.73 RPS6KA3 (0.43) RPS6KA3
SCHEMBL22363483 0.72 BRD4 (0.37) RPS6KA2HDAC1HDAC2HDAC8RPS6KA3
SCHEMBL12894979 0.69 HDAC1 (0.38) RPS6KA2HDAC1HDAC2HDAC8RPS6KA3
SCHEMBL25204974 0.68 HDAC1 (0.57) HDAC1HDAC2HDAC8

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-20230285569-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF FRAGILE X Design Therapeutics, Inc. 2023-09-14 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-20230285569-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF FRAGILE X CYFIP2, TPX2, CYFIP1 RPS6KA2 726/4885HDAC1 1906/4885HDAC2 1002/4885

“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.