SCHEMBL793543

SCHEMBL793543

O=C1NCCc2ccc(Cl)c(F)c21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.47
PARP1 P09874 6/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
LCK P06239 1/20 0.43
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
HTR2B P41595 3/20 0.42
PARP11 Q9NR21 5/20 0.41
PDPK1 O15530 1/20 0.41
HTT P42858 1/20 0.40
PTK2B Q14289 1/20 0.40
GRM5 P41594 3/20 0.37
ADRA2A P08913 1/20 0.35
PNMT P11086 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL29875305 0.82 AURKA (0.40) HTR2AHTR2CHTR2BGRM5
SCHEMBL807894 0.81 PARP10 (0.53) PARP10PARP1F7F3LCK
SCHEMBL15471813 0.79 PARP10 (0.47) PARP10PARP1F7F3LCK
SCHEMBL793833 0.77 PARP10 (0.49) PARP10PARP1F7F3LCK
SCHEMBL24702294 0.74 PARP10 (0.36) PARP10PARP1F7F3LCK
SCHEMBL30667100 0.74 HTR2A (0.36) HTR2AHTR2CHTR2B
SCHEMBL31504499 0.72 HTT (0.46) PARP10PARP1F7F3HTR2A
SCHEMBL31504502 0.72 HTT (0.46) PARP10PARP1F7F3HTR2A
SCHEMBL14992245 0.72 ACHE (0.51) PARP10PARP1F7F3PARP11
SCHEMBL15830714 0.72 PARP10 (0.47) PARP10PARP1F7F3LCK

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 2549/4885F7 2639/4885

“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.