SCHEMBL23854582

SCHEMBL23854582

CC(C)C(O)c1ccnc(Cl)c1N(C(=O)O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.35
IDH1 O75874 1/20 0.32
ATR Q13535 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ASPH Q12797 1/20 0.30
KDM8 Q8N371 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
SCHEMBL1699332 0.79 ATR (0.36) KDM5AATRKDM4EASPHKDM8
SCHEMBL236945 0.75 CCR1 (0.34) ATRKDM4EASPHKDM8
SCHEMBL22715803 0.70 ATR (0.36) KDM5AATR
SCHEMBL14909183 0.68 KDM4E (0.39) ATRKDM4EASPHKDM8
SCHEMBL238763 0.67 SMN1; SMN2 (0.46) KDM4E
SCHEMBL1350020 0.67 ATR (0.34) ATRKDM4EASPHKDM8
SCHEMBL31026167 0.67 ATR (0.60) ATR
SCHEMBL23854584 0.67 ATR (0.60) ATR
SCHEMBL28708616 0.66 KDM5A (0.32) KDM5A
SCHEMBL1094625 0.64 L3MBTL1 (0.42) IDH1

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-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2022-02-22 US disclosed
US-20210300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 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-20210300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB KDM5A 906/4885IDH1 1421/4885ATR 3552/4885
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase NFKBIA, IKBKB, CHUK KDM5A 1005/4885IDH1 1137/4885ATR 3528/4885

“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.