SCHEMBL797294

SCHEMBL797294

O=C1NCCc2ccc(-c3ccc(F)cc3)cc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 13/20 0.76
PARP1 P09874 6/20 0.76
PARP11 Q9NR21 8/20 0.58
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
GRM5 P41594 2/20 0.55
NTRK2 Q16620 2/20 0.51
TYRO3 Q06418 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
JAK2 O60674 1/20 0.50
NTRK1 P04629 1/20 0.50
MET P08581 1/20 0.50
FGFR1 P11362 1/20 0.50
PRKACA P17612 1/20 0.50
KDR P35968 1/20 0.50
MAP2K2 P36507 1/20 0.50
FLT3 P36888 1/20 0.50
GSK3B P49841 1/20 0.50
MAP2K1 Q02750 1/20 0.50

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
SCHEMBL8167145 0.87 PARP10 (0.76) PARP10PARP1PARP11GRM5CLK4
SCHEMBL23952279 0.86 PARP10 (1.00) PARP10PARP1PARP11F7F3
SCHEMBL29914810 0.86 PARP10 (1.00) PARP10PARP1PARP11F7F3
SCHEMBL5253621 0.85 PARP10 (0.77) PARP10PARP1PARP11F7F3
SCHEMBL13820261 0.84 PARP10 (0.76) PARP10PARP1PARP11F7F3
SCHEMBL29984992 0.83 CLK4 (0.73) PARP10PARP1PARP11GRM5NTRK2
SCHEMBL13827940 0.80 PARP10 (0.56) PARP10PARP1PARP11F7F3
SCHEMBL30285494 0.78 PARP10 (0.54) PARP10PARP1PARP11F7F3
SCHEMBL22391640 0.77 PARP10 (0.68) PARP10PARP1PARP11F7F3
SCHEMBL30454034 0.77 PARP10 (0.68) PARP10PARP1PARP11F7F3

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 9 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-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
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 PARP10 940/4885PARP1 2549/4885PARP11 844/4885

“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.