SCHEMBL792895

SCHEMBL792895

O=C1NCCc2ccc(C(F)(F)F)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 1.00
PARP1 P09874 8/20 1.00
PARP11 Q9NR21 5/20 0.59
F7 P08709 1/20 0.58
F3 P13726 1/20 0.58
PDPK1 O15530 1/20 0.51
TDP2 O95551 1/20 0.50
MAPKAPK2 P49137 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44

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
SCHEMBL793156 0.87 PARP10 (0.77) PARP10PARP1PARP11F7F3
SCHEMBL12459041 0.83 PARP10 (0.71) PARP10PARP1PARP11F7F3
SCHEMBL30681290 0.83 PARP10 (0.71) PARP10PARP1PARP11TDP2HTR2A
SCHEMBL19251116 0.78 PARP10 (0.64) PARP10PARP1PARP11F7F3
SCHEMBL23952279 0.77 PARP10 (1.00) PARP10PARP1PARP11F7F3
SCHEMBL29914810 0.77 PARP10 (1.00) PARP10PARP1PARP11F7F3
SCHEMBL30201259 0.77 PARP1 (0.62) PARP10PARP1TDP2HTR2AHTR2C
SCHEMBL3680946 0.77 PARP1 (0.62) PARP10PARP1TDP2HTR2AHTR2C
SCHEMBL793249 0.76 PARP10 (0.61) PARP10PARP1PARP11F7F3
SCHEMBL30549981 0.76 PARP10 (0.69) PARP10PARP1PARP11TDP2MAPKAPK2

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.