SCHEMBL2392518

SCHEMBL2392518

COC(=O)CNC1CCC(CN(C)c2ccc(I)cn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.36
MELK Q14680 14/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
SYK P43405 1/20 0.32
ACACB O00763 1/20 0.32
USP30 Q70CQ3 1/20 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
SCHEMBL2392514 1.00 CACNA1H (0.36) CACNA1HMELKMDM4MDM2CTSL
SCHEMBL12258924 0.93 CACNA1H (0.32) CACNA1HMELKMDM4MDM2CTSL
SCHEMBL2390600 0.87 MDM4 (0.39) CACNA1HMELKMDM4MDM2USP30
SCHEMBL2390604 0.87 MDM4 (0.39) CACNA1HMELKMDM4MDM2USP30
SCHEMBL2393190 0.83 MDM2 (0.34) MDM4MDM2
SCHEMBL2393193 0.83 MDM2 (0.34) MDM4MDM2
SCHEMBL2391849 0.81 LSS (0.33) CACNA1HMELKMDM4MDM2ACACB
SCHEMBL2391851 0.81 LSS (0.33) CACNA1HMELKMDM4MDM2ACACB
SCHEMBL2393901 0.81 MDM4 (0.31) MDM4MDM2
SCHEMBL12258803 0.80 CACNA1H (0.35) CACNA1H

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 CACNA1H 4401/4885MELK 580/4885MDM4 1/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 CACNA1H 4401/4885MELK 580/4885MDM4 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.