SCHEMBL2391447

SCHEMBL2391447

COC(=O)CN[C@H]1CC[C@H](CN(C)c2cnc(Br)nc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
LSS P48449 2/20 0.34
KDM4C Q9H3R0 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
OPRK1 P41145 2/20 0.31
MELK Q14680 2/20 0.31
SYK P43405 1/20 0.31
LTC4S Q16873 5/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL2391452 1.00 MDM4 (0.38) MDM4MDM2LSSKDM4CTRPV1
SCHEMBL27877136 0.83 MDM4 (0.33) MDM4MDM2LSSKDM4CTRPV1
SCHEMBL27877139 0.83 MDM4 (0.33) MDM4MDM2LSSKDM4CTRPV1
SCHEMBL2391849 0.82 LSS (0.33) MDM4MDM2LSSOPRK1MELK
SCHEMBL2391851 0.82 LSS (0.33) MDM4MDM2LSSOPRK1MELK
SCHEMBL15342783 0.79 MDM4 (0.34) MDM4MDM2LSSKDM4CTRPV1
SCHEMBL2390269 0.79 MDM4 (0.34) MDM4MDM2LSSKDM4CTRPV1
SCHEMBL2390272 0.79 MDM4 (0.34) MDM4MDM2LSSKDM4CTRPV1
SCHEMBL2393190 0.79 MDM2 (0.34) MDM4MDM2LSSKDM4CTRPV1
SCHEMBL2393193 0.79 MDM2 (0.34) MDM4MDM2LSSKDM4CTRPV1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US 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 (2 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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 MDM4 1/4885MDM2 2/4885LSS 3284/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 MDM4 1/4885MDM2 2/4885LSS 3284/4885

“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.