SCHEMBL2391001

SCHEMBL2391001

CCN(CC1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.42
DRD3 P35462 2/20 0.42
JAK1 P23458 3/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNA3 P22001 1/20 0.38
GHSR Q92847 1/20 0.38
MAOA P21397 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
EPHX2 P34913 1/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL2390996 1.00 DRD2 (0.45) DRD2KDM4ENPC1MAPTRAB9A
SCHEMBL2394446 0.87 DRD2 (0.46) DRD2MAOBKDM1ADRD3JAK1
SCHEMBL2394449 0.87 DRD2 (0.46) DRD2MAOBKDM1ADRD3JAK1
SCHEMBL31008908 0.81 DRD2 (0.46) DRD2KDM4ENPC1MAPTRAB9A
SCHEMBL2390523 0.78 DRD2 (0.49) DRD2MAOBKDM1ADRD3JAK1
SCHEMBL2390531 0.78 DRD2 (0.49) DRD2MAOBKDM1ADRD3JAK1
SCHEMBL2390499 0.76 DRD2 (0.42) DRD2MAOBKDM1ADRD3JAK1
SCHEMBL2393433 0.76 DRD2 (0.42) DRD2MAOBKDM1ADRD3JAK1
SCHEMBL2390497 0.76 DRD2 (0.42) DRD2MAOBKDM1ADRD3JAK1
SCHEMBL2393427 0.76 DRD2 (0.42) DRD2MAOBKDM1ADRD3JAK1

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 6 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
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

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 1974/4885KDM4E 693/4885NPC1 1905/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 DRD2 1974/4885KDM4E 693/4885NPC1 1905/4885

“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.