SCHEMBL2390774

SCHEMBL2390774

COC(=O)CN[C@H]1CC[C@H](CN(C)c2ccc(Br)nn2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.33
BRD4 O60885 2/20 0.33
MELK Q14680 2/20 0.30
ACACB O00763 1/20 0.30
MDM4 O15151 1/20 0.30
MDM2 Q00987 1/20 0.30
CACNA1H O95180 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
SCHEMBL15342765 1.00 LSS (0.33) LSSBRD4MELKACACBMDM4
SCHEMBL2390776 1.00 LSS (0.33) LSSBRD4MELKACACBMDM4
SCHEMBL2391108 0.87 MDM4 (0.36) LSSBRD4MELKMDM4MDM2
SCHEMBL2391106 0.87 MDM4 (0.36) LSSBRD4MELKMDM4MDM2
SCHEMBL27877151 0.83 BRD4 (0.32) LSSBRD4MELKACACB
SCHEMBL27877146 0.83 BRD4 (0.32) LSSBRD4MELKACACB
SCHEMBL2391851 0.82 LSS (0.33) LSSMELKACACBMDM4MDM2
SCHEMBL2391849 0.82 LSS (0.33) LSSMELKACACBMDM4MDM2
SCHEMBL2393916 0.82 CACNA1H (0.34) LSSBRD4MELKACACBCACNA1H
SCHEMBL2393920 0.82 CACNA1H (0.34) LSSBRD4MELKACACBCACNA1H

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 10 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
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-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 3284/4885BRD4 18/4885MELK 580/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 LSS 3284/4885BRD4 18/4885MELK 580/4885

“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.