SCHEMBL793156

SCHEMBL793156

O=C1NCCc2cc(C(F)(F)F)ccc21

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 12/20 0.77
PARP1 P09874 4/20 0.77
PARP11 Q9NR21 10/20 0.72
TDP2 O95551 2/20 0.58
GRM5 P41594 4/20 0.52
PDPK1 O15530 1/20 0.51
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46

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
SCHEMBL792895 0.87 PARP10 (1.00) PARP10PARP1PARP11TDP2PDPK1
SCHEMBL30549981 0.85 PARP10 (0.69) PARP10PARP1PARP11TDP2GRM5
SCHEMBL8159275 0.84 PARP10 (1.00) PARP10PARP1PARP11TDP2PDPK1
SCHEMBL1432009 0.83 PARP10 (0.63) PARP10PARP1PARP11GRM5PDPK1
SCHEMBL30607099 0.83 TDP2 (0.61) PARP10PARP1PARP11TDP2GRM5
SCHEMBL505115 0.81 GRM5 (0.70) PARP10PARP1PARP11GRM5
SCHEMBL1725257 0.81 PARP10 (0.59) PARP10PARP1PARP11GRM5PDPK1
SCHEMBL1727568 0.80 PARP10 (0.58) PARP10PARP1PARP11GRM5PDPK1
SCHEMBL4418018 0.79 MAOA (0.67) PARP10PARP1PARP11
SCHEMBL794160 0.77 PARP10 (0.74) PARP10PARP1PARP11GRM5PDPK1

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 10 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
CN-103108871-B 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2014-09-10 CN 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.