SCHEMBL793833

SCHEMBL793833

O=C1NCCc2ccc(C(F)(F)F)c(F)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.49
PARP1 P09874 6/20 0.49
PARP11 Q9NR21 6/20 0.39
PDPK1 O15530 1/20 0.39
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
AR P10275 2/20 0.38
GRM5 P41594 2/20 0.35
LCK P06239 1/20 0.34
RIPK3 Q9Y572 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL15471813 0.77 PARP10 (0.47) PARP10PARP1PARP11PDPK1F7
SCHEMBL793543 0.77 PARP10 (0.47) PARP10PARP1PARP11PDPK1F7
SCHEMBL798038 0.76 CES2 (0.34) PARP10PARP1
SCHEMBL26622226 0.74 PARP1 (0.39) PARP10PARP1PARP11ARGRM5
SCHEMBL807894 0.71 PARP10 (0.53) PARP10PARP1PARP11PDPK1F7
SCHEMBL31354789 0.69 PARP10 (0.46) PARP10PARP1PARP11PDPK1F7
SCHEMBL25656352 0.69 PARP10 (0.52) PARP10PARP1PARP11PDPK1GRM5
SCHEMBL24681239 0.67 PARP10 (0.44) PARP10PARP1PARP11PDPK1F7
SCHEMBL11739968 0.67 HTR2A (0.47) HTR2AHTR2CHTR2B
SCHEMBL24681240 0.66 PARP10 (0.38) PARP10PARP1PARP11PDPK1F7

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 8 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

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.