SCHEMBL807966

SCHEMBL807966

O=C1NCCc2c1cccc2C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.58
PARP10 Q53GL7 9/20 0.58
PARP11 Q9NR21 8/20 0.58
PDPK1 O15530 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
ACHE P22303 1/20 0.46
CES1 P23141 1/20 0.46
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
TIPARP Q7Z3E1 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45

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
SCHEMBL17586328 0.83 PARP1 (0.63) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL21199854 0.83 CDK5 (0.56) PARP1PARP10PARP11CES1
SCHEMBL29365783 0.83 CDK5 (0.56) PARP1PARP10PARP11CES1
Hydrochloric Acid SCHEMBL30891969 0.81 CDK5 (0.54) PARP1PARP10PARP11CES1
SCHEMBL6421827 0.77 PARP1 (0.64) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL29587371 0.77 PARP1 (0.64) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL5073463 0.77 PARP1 (0.64) PARP1PARP10PARP11PDPK1ACHE
Formic Acid SCHEMBL30331797 0.76 ROCK1 (0.49) PARP1CES1
SCHEMBL30775289 0.75 KDR (0.54) PARP10PARP11CES1
SCHEMBL1508269 0.75 NOTUM (0.44) CES1

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 5 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-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 PARP1 2549/4885PARP10 940/4885PARP11 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.