SCHEMBL2394670

SCHEMBL2394670

CN(C[C@H]1CC[C@H](N(C)C)CC1)c1ccc(I)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
MDM2 Q00987 3/20 0.35
MDM4 O15151 2/20 0.35
CYP3A4 P08684 1/20 0.35
APP P05067 2/20 0.33
KCNH2 Q12809 1/20 0.33
DAO P14920 1/20 0.33
CXCR3 P49682 2/20 0.32
SPHK1 Q9NYA1 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
PYCR1 P32322 1/20 0.30
AR P10275 1/20 0.30
BCHE P06276 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
SCHEMBL2394667 1.00 TP53 (0.35) TP53MDM2MDM4CYP3A4APP
SCHEMBL16104125 0.85 APP (0.34) APPDAOCXCR3JAK2JAK1
SCHEMBL2394843 0.84 MDM4 (0.38) MDM2MDM4CYP3A4APPSPHK1
SCHEMBL2394846 0.84 MDM4 (0.38) MDM2MDM4CYP3A4APPSPHK1
SCHEMBL2388268 0.83 BRD4 (0.43) TP53MDM2MDM4APPDAO
SCHEMBL2388269 0.83 BRD4 (0.43) TP53MDM2MDM4APPDAO
SCHEMBL2393020 0.83 DAO (0.42) APPDAOCXCR3TRPV1
SCHEMBL2392197 0.80 EP300 (0.38) TP53MDM2MDM4APPDAO
SCHEMBL27033004 0.78 KDM4C (0.33) TRPV1
SCHEMBL23832625 0.76 CNR2 (0.37) JAK2JAK1JAK3TRPV1

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-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
CN-102770182-A Substituted isoquinolinones and quinazolinones NOVARTIS AG 2012-11-07 CN 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 TP53 3/4885MDM2 2/4885MDM4 1/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 TP53 3/4885MDM2 2/4885MDM4 1/4885

“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.