SCHEMBL2391849

SCHEMBL2391849

COC(=O)CN[C@H]1CC[C@H](CN(C)c2cnc(Br)cn2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.33
MELK Q14680 2/20 0.32
CACNA1H O95180 1/20 0.32
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
OPRK1 P41145 2/20 0.31
JAK3 P52333 1/20 0.31
CCNT1 O60563 1/20 0.30
ACACB O00763 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
SCHEMBL2391851 1.00 LSS (0.33) LSSMELKCACNA1HMDM4MDM2
SCHEMBL2395504 0.87 MDM4 (0.37) LSSMELKCACNA1HMDM4MDM2
SCHEMBL2395506 0.87 MDM4 (0.37) LSSMELKCACNA1HMDM4MDM2
SCHEMBL27877195 0.83 MELK (0.32) LSSMELKCACNA1HJAK3CCNT1
SCHEMBL27877194 0.83 MELK (0.32) LSSMELKCACNA1HJAK3CCNT1
SCHEMBL2390776 0.82 LSS (0.33) LSSMELKCACNA1HMDM4MDM2
SCHEMBL2390774 0.82 LSS (0.33) LSSMELKCACNA1HMDM4MDM2
SCHEMBL15342765 0.82 LSS (0.33) LSSMELKCACNA1HMDM4MDM2
SCHEMBL2391447 0.82 MDM4 (0.38) LSSMELKMDM4MDM2OPRK1
SCHEMBL2391452 0.82 MDM4 (0.38) LSSMELKMDM4MDM2OPRK1

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 LSS 3284/4885MELK 580/4885CACNA1H 4401/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 LSS 3284/4885MELK 580/4885CACNA1H 4401/4885

“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.