SCHEMBL2389245

SCHEMBL2389245

COC(=O)CN(CCN(C)C(=O)OC(C)(C)C)C1CCC(CN(C)c2ccc(I)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
MDM4 O15151 2/20 0.34
MDM2 Q00987 2/20 0.34
ACKR3 P25106 1/20 0.34
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
GBA1 P04062 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
S1PR1 P21453 1/20 0.31
LIMK2 P53671 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
SCHEMBL2389246 1.00 CNR2 (0.34) CNR2MDM4MDM2ACKR3FPR3
SCHEMBL2389242 0.87 S1PR1 (0.34) CNR2MDM4MDM2S1PR1
SCHEMBL2394168 0.86 CNR2 (0.35) CNR2ACKR3FPR3FPR2GBA1
SCHEMBL2394172 0.86 CNR2 (0.35) CNR2ACKR3FPR3FPR2GBA1
SCHEMBL8526828 0.86 MDM4 (0.33) MDM4MDM2
SCHEMBL27893944 0.85 CNR2 (0.32) CNR2ACKR3FPR3FPR2GBA1
SCHEMBL2388246 0.84 FPR3 (0.35) CNR2MDM4MDM2ACKR3FPR3
SCHEMBL2388250 0.84 FPR3 (0.35) CNR2MDM4MDM2ACKR3FPR3
SCHEMBL12258921 0.83 CNR2 (0.33) CNR2GBA1HTR2CSLC6A4S1PR1
SCHEMBL23832625 0.81 CNR2 (0.37) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073898-B2 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2015-07-07 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-8969351-B2 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2015-03-03 US disclosed
EP-2640467-B1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION NOVARTIS AG (CH) 2014-12-17 EP 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-20130245036-A1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION NOVARTIS AG (CH) 2013-09-19 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-20120129871-A1 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2012-05-24 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
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 (4 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 CNR2 2204/4885MDM4 1/4885MDM2 2/4885
US-20130245036-A1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION MDM4, TP53, TP53BP1 CNR2 4851/4885MDM4 1/4885MDM2 4/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 CNR2 2204/4885MDM4 1/4885MDM2 2/4885
US-20120129871-A1 Crystalline form of an inhibitor of MDM2/4 and p53 interaction MDM4, TP53, TP53BP1 CNR2 4858/4885MDM4 1/4885MDM2 4/4885

“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.