SCHEMBL798998

SCHEMBL798998

O=C1NCCc2scc(-c3ccc(F)cc3)c21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 13/20 0.44
PARP10 Q53GL7 2/20 0.42
PARP1 P09874 1/20 0.42
MAPKAPK2 P49137 1/20 0.41
BUB1 O43683 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
GRM5 P41594 1/20 0.39
PARP11 Q9NR21 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL17847610 0.72 MAPKAPK2 (0.45) RIPK3PARP10PARP1MAPKAPK2BUB1
SCHEMBL793530 0.71 PARP10 (0.40) PARP10PARP1CDC7DBF4PARP11
SCHEMBL793215 0.71 CDC7 (0.72) PARP10PARP1MAPKAPK2CDC7DBF4
SCHEMBL17713649 0.69 CDC7 (0.39) RIPK3PARP10PARP1CDC7DBF4
SCHEMBL17847644 0.66 BUB1 (0.49) RIPK3PARP10PARP1MAPKAPK2BUB1
SCHEMBL15466929 0.65 PARP10 (0.45) PARP10PARP1MAPKAPK2CDC7DBF4
SCHEMBL797294 0.65 PARP10 (0.76) PARP10PARP1MAPKAPK2GRM5PARP11
SCHEMBL8167145 0.65 PARP10 (0.76) PARP10PARP1GRM5PARP11
SCHEMBL17847625 0.64 BUB1 (0.69) RIPK3BUB1CDC7
SCHEMBL6110112 0.64 CDC7 (0.72) RIPK3MAPKAPK2BUB1CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 RIPK3 3021/4885PARP10 940/4885PARP1 2549/4885

“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.