SCHEMBL807772

SCHEMBL807772

CC1(C)CNC(=O)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.54
PARP1 P09874 1/20 0.54
TDP2 O95551 2/20 0.47
AR P10275 3/20 0.39
CDC7 O00311 2/20 0.39
PARP11 Q9NR21 2/20 0.37
PKM P14618 1/20 0.36
NOTUM Q6P988 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34

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
SCHEMBL15677006 0.78 AR (0.46) PARP10PARP1TDP2ARPKM
SCHEMBL428211 0.78 PARP10 (0.51) PARP10PARP1CDC7PARP11
SCHEMBL30285264 0.76 PARP10 (0.50) PARP10PARP1TDP2CDC7PARP11
SCHEMBL21332980 0.76 PARP10 (0.50) PARP10PARP1TDP2CDC7PARP11
SCHEMBL445602 0.76 CDC7 (0.43) PARP1TDP2CDC7MAPKAPK2MAPT
SCHEMBL24457308 0.74 PARP10 (0.46) PARP10PARP1TDP2PARP11PKM
SCHEMBL29552082 0.74 PARP10 (0.46) PARP10PARP1TDP2PARP11PKM
SCHEMBL24457613 0.74 PARP10 (0.46) PARP10PARP1TDP2CDC7PARP11
SCHEMBL30496369 0.74 PARP10 (0.46) PARP10PARP1TDP2CDC7PARP11
SCHEMBL10698021 0.74 NPBWR1 (0.47)

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 PARP10 940/4885PARP1 2549/4885TDP2 2986/4885

“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.