SCHEMBL25212005

SCHEMBL25212005

CC(C)(C)OC(=O)Cn1ccc2c(N)nc(Cl)nc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.38
FPR2 P25090 2/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 1/20 0.37
NT5E P21589 2/20 0.35
HDAC4 P56524 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
BCL6 P41182 1/20 0.34
ELANE P08246 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL25210492 0.88 HDAC6 (0.39) HDAC6FPR2HDAC1HDAC4KDM4E
SCHEMBL16688836 0.88 HDAC1 (0.43) HDAC6FPR2HDAC1HDAC2HDAC4
SCHEMBL23885335 0.86 HDAC6 (0.38) HDAC6FPR2HDAC1HDAC4KDM4E
SCHEMBL23885578 0.84 HDAC6 (0.50) HDAC6FPR2HDAC1HDAC2HDAC4
SCHEMBL25540462 0.83 HDAC6 (0.39) HDAC6FPR2HDAC1HDAC4KDM4E
SCHEMBL23885169 0.80 HDAC1 (0.41) HDAC6HDAC1HDAC2NT5EHDAC4
SCHEMBL30254754 0.80 CNR1 (0.43) HDAC1HDAC2KDM4EALDH1A1MAPKAPK2
SCHEMBL25235315 0.80 DOT1L (0.42) HDAC6KDM4EALDH1A1
SCHEMBL16688860 0.78 HDAC6 (0.37) HDAC6FPR2
SCHEMBL19208246 0.75 FPR2 (0.45) HDAC6FPR2KDM4EALDH1A1BCL6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 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 (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-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS C5, C9, C1QBP HDAC6 2412/4885FPR2 593/4885HDAC1 2627/4885

“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.