SCHEMBL2394846

SCHEMBL2394846

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
CRHR1 P34998 2/20 0.35
ALDH1A1 P00352 2/20 0.34
PSMD14 O00487 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 4/20 0.33
CNR1 P21554 3/20 0.33
RAB9A P51151 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
ALDH3A1 P30838 1/20 0.33
ALDH1A3 P47895 1/20 0.33
GRIA2 P42262 3/20 0.32
GRIN2A Q12879 3/20 0.32

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
SCHEMBL2394843 1.00 MDM4 (0.38) MDM4MDM2CRHR1ALDH1A1PSMD14
SCHEMBL2394670 0.84 TP53 (0.35) MDM4MDM2CYP3A4SPHK1APP
SCHEMBL2394667 0.84 TP53 (0.35) MDM4MDM2CYP3A4SPHK1APP
SCHEMBL6601248 0.74 TSHR (0.52) ALDH1A1TSHRGFERCNR2RAB9A
SCHEMBL355678 0.73 ALDH1A1 (0.58) ALDH1A1PSMD14CYP3A4TSHRMAPK1
SCHEMBL21401832 0.70 AR (0.38) CRHR1ALDH1A1PSMD14CYP3A4TSHR
SCHEMBL2390996 0.69 DRD2 (0.45) L3MBTL1RAB9A
SCHEMBL16104125 0.69 APP (0.34) CRHR1APP
SCHEMBL20684559 0.69 CNR2 (0.59) ALDH1A1PSMD14CYP3A4TSHRMAPK1
SCHEMBL5791711 0.68 APP (0.42) ALDH1A1TSHRAPP

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 14 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
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 MDM4 1/4885MDM2 2/4885CRHR1 1853/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 MDM4 1/4885MDM2 2/4885CRHR1 1853/4885

“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.