SCHEMBL21335655

SCHEMBL21335655

CC(C)(C)Cc1ccc2c(c1)C(=O)NCC2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 12/20 0.58
PARP1 P09874 6/20 0.58
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
PARP11 Q9NR21 8/20 0.47
PDPK1 O15530 1/20 0.47
KDM4E B2RXH2 1/20 0.42
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PRF1 P14222 1/20 0.38
GRM5 P41594 2/20 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
SCHEMBL19386434 0.88 PARP11 (0.61) PARP10PARP1F7F3PARP11
SCHEMBL20625609 0.84 CLK4 (0.47) PARP10PARP1F7F3PIM1
SCHEMBL8255407 0.83 PARP10 (0.59) PARP10PARP1F7F3PARP11
SCHEMBL8162850 0.83 PARP10 (0.63) PARP10PARP1F7F3PARP11
SCHEMBL22995086 0.80 PARP10 (0.63) PARP10PARP1F7F3PARP11
SCHEMBL14984344 0.80 PARP10 (0.58) PARP10PARP1F7F3PARP11
SCHEMBL8190887 0.79 PARP10 (0.58) PARP10PARP1F7F3PARP11
SCHEMBL23397539 0.78 PBRM1 (0.49)
SCHEMBL25780903 0.78 SMN1; SMN2 (0.43) PARP10PARP1PARP11
SCHEMBL12459041 0.76 PARP10 (0.71) PARP10PARP1F7F3PARP11

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-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 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-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 PARP10 1170/4885PARP1 626/4885F7 2952/4885

“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.