SCHEMBL4067360

SCHEMBL4067360

OC1(c2ccncc2Br)CCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
POLB P06746 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
AXL P30530 1/20 0.31
LATS1 O95835 3/20 0.30
LATS2 Q9NRM7 3/20 0.30
SLC22A12 Q96S37 1/20 0.30

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
SCHEMBL13737239 0.96 L3MBTL1 (0.41) CYP17A1L3MBTL1CCNCCDK8POLB
SCHEMBL16866387 0.95 L3MBTL1 (0.43) CYP17A1L3MBTL1CCNCCDK8POLB
SCHEMBL13964251 0.83 POLB (0.35) CYP17A1CCNCCDK8POLB
SCHEMBL13964250 0.83 OPRM1 (0.37) CYP17A1CCNCCDK8POLB
SCHEMBL13964249 0.80 PDE10A (0.32) CYP17A1
SCHEMBL10187553 0.80 SLC22A12 (0.35) CCNCCDK8AXLSLC22A12
SCHEMBL13964096 0.78 KDM4E (0.36) CCNCCDK8POLBLATS1
SCHEMBL23231714 0.78 CYP17A1 (0.40) CYP17A1L3MBTL1LATS1
SCHEMBL15776602 0.74 CYP17A1 (0.42) CYP17A1L3MBTL1SIGMAR1
SCHEMBL16702740 0.73 L3MBTL1 (0.43) CYP17A1L3MBTL1CCNCCDK8LATS1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US disclosed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US disclosed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
EP-2702052-A1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2014-03-05 EP disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO disclosed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
EP-1824817-B1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-02-04 EP disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 US disclosed
CN-101068776-A As 5HT2AArylsulfonyl naphthalene derivatives as antagonists MERCH SHARP & DOHME LTD (GB) 2007-11-07 CN disclosed
EP-1824817-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-08-29 EP disclosed
WO-2006059149-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-06-08 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 (3 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-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 CYP17A1 1/4885L3MBTL1 3815/4885CCNC 2592/4885
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A CYP17A1 936/4885L3MBTL1 2951/4885CCNC 2339/4885
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 CYP17A1 1/4885L3MBTL1 3815/4885CCNC 2592/4885

“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.