SCHEMBL807493

SCHEMBL807493

O=C1NCCc2ccc3ncsc3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.38
TLK2 Q86UE8 1/20 0.38
NEK7 Q8TDX7 1/20 0.38
NEK6 Q9HC98 1/20 0.38
PARP10 Q53GL7 9/20 0.37
PARP1 P09874 7/20 0.37
PARP11 Q9NR21 4/20 0.37
PDPK1 O15530 1/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
LCK P06239 1/20 0.35
SLC22A12 Q96S37 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31

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
SCHEMBL793698 0.74 DRD2 (0.39) PARP10PARP1PARP11PDPK1F7
SCHEMBL17375503 0.71 MAPT (0.46) PARP10PARP1PARP11PDPK1F7
SCHEMBL2808756 0.69 SRC (0.33)
SCHEMBL12321662 0.68 NOTUM (0.41) MAP3K11TLK2NEK7NEK6
SCHEMBL2356090 0.67 MAP3K11 (0.55) MAP3K11TLK2NEK7NEK6PARP1
SCHEMBL11926968 0.66 PARP10 (0.45) PARP10PARP1PARP11PDPK1F7
SCHEMBL18640762 0.66 CHEK1 (0.49) PARP10PARP1PARP11PDPK1F7
SCHEMBL1584866 0.66 PARP10 (0.45) PARP10PARP1PARP11PDPK1F7
SCHEMBL599458 0.66 DYRK1A (0.42) MAP3K11TLK2NEK7NEK6PARP10
SCHEMBL2722669 0.65 ALDH1A1 (0.46) MAP3K11TLK2NEK7NEK6PARP1

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 MAP3K11 2558/4885TLK2 4281/4885NEK7 1795/4885

“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.