SCHEMBL2397153

SCHEMBL2397153

CN(C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)c1ccc(Br)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.42
KDM1A O60341 2/20 0.39
MAOB P27338 1/20 0.39
DRD3 P35462 2/20 0.39
AAK1 Q2M2I8 2/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNA3 P22001 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
EPHX2 P34913 1/20 0.34
CCR5 P51681 1/20 0.34
SUV39H2 Q9H5I1 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
SCHEMBL15342785 1.00 DRD2 (0.42) DRD2KDM1AMAOBDRD3AAK1
SCHEMBL2397159 1.00 DRD2 (0.42) DRD2KDM1AMAOBDRD3AAK1
SCHEMBL2394575 0.87 SUV39H2 (0.42) DRD2KDM1AMAOBDRD3AAK1
SCHEMBL2394577 0.87 SUV39H2 (0.42) DRD2KDM1AMAOBDRD3AAK1
SCHEMBL2392421 0.81 DRD2 (0.41) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL2392418 0.81 DRD2 (0.41) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL15342805 0.81 DRD2 (0.41) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL2394449 0.81 DRD2 (0.46) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL2394446 0.81 DRD2 (0.46) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL2390272 0.80 MDM4 (0.34)

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 DRD2 1974/4885KDM1A 1216/4885MAOB 1800/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 DRD2 1974/4885KDM1A 1216/4885MAOB 1800/4885

“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.