SCHEMBL807894

SCHEMBL807894

O=C1NCCc2ccc(F)c(Cl)c21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.53
PARP1 P09874 6/20 0.53
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
HTR2A P28223 1/20 0.50
PARP11 Q9NR21 5/20 0.42
PDPK1 O15530 1/20 0.42
LCK P06239 1/20 0.41
GRM5 P41594 5/20 0.40
TDP2 O95551 1/20 0.37
JAK2 O60674 1/20 0.36

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
SCHEMBL15814001 0.81 PARP10 (0.47) PARP10PARP1F7F3HTR2C
SCHEMBL793543 0.81 PARP10 (0.47) PARP10PARP1F7F3HTR2C
SCHEMBL17330414 0.81 HTR2A (0.49) PARP10PARP1F7F3HTR2C
SCHEMBL15830714 0.81 PARP10 (0.47) PARP10PARP1F7F3HTR2C
SCHEMBL17330360 0.81 PARP10 (0.47) PARP10PARP1F7F3PARP11
SCHEMBL15814960 0.77 PARP10 (0.41) PARP10PARP1F7F3HTR2C
SCHEMBL15813555 0.77 HTR2C (0.53) PARP10PARP1F7F3HTR2C
SCHEMBL22135686 0.77 PARP10 (0.41) PARP10PARP1F7F3HTR2C
SCHEMBL25656352 0.76 PARP10 (0.52) PARP10PARP1PARP11PDPK1LCK
SCHEMBL5200099 0.76 HTR2C (0.46) PARP10PARP1F7F3HTR2C

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 7 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
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.