SCHEMBL798823

SCHEMBL798823

Cc1ccncc1N1CCc2sc3ccc(F)cc3c2C1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 8/20 0.52
CYP3A4 P08684 5/20 0.52
P2RX7 Q99572 1/20 0.41
G6PD P11413 2/20 0.38
MPI P34949 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
PMM2 O15305 1/20 0.38
PHOSPHO1 Q8TCT1 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
TDO2 P48775 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL807981 0.86 CYP17A1 (0.39) CYP17A1CYP3A4P2RX7
SCHEMBL794339 0.85 CYP17A1 (0.37) CYP17A1CYP3A4MPIPMM2PHOSPHO1
SCHEMBL15465685 0.84 CYP17A1 (0.52) CYP17A1CYP3A4P2RX7G6PDMPI
SCHEMBL794302 0.79 CYP17A1 (0.58) CYP17A1CYP3A4HRH4TDO2MAPT
SCHEMBL793782 0.78 CDC7 (0.40) CYP17A1CYP3A4P2RX7
SCHEMBL797921 0.77 ACHE (0.41) CYP17A1CYP3A4P2RX7TDO2
SCHEMBL3782220 0.76 CYP17A1 (0.52) CYP17A1CYP3A4P2RX7
SCHEMBL793996 0.76 P2RX7 (0.40) CYP17A1CYP3A4P2RX7KDM4EMAPT
SCHEMBL793824 0.75 CYP11B2 (0.46) P2RX7
SCHEMBL15467500 0.75 P2RX7 (0.37) CYP17A1CYP3A4P2RX7

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 11 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 claimed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US claimed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP claimed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO claimed
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
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 CYP17A1 1/4885CYP3A4 151/4885P2RX7 4321/4885

“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.