SCHEMBL2393920

SCHEMBL2393920

COC(=O)CNC1CCC(CN(C)c2ccc(Br)c(F)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.34
MELK Q14680 11/20 0.33
LSS P48449 1/20 0.32
ACACB O00763 2/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ENPP2 Q13822 1/20 0.32
BRD4 O60885 1/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL15342802 1.00 CACNA1H (0.34) CACNA1HMELKLSSACACBCTSL
SCHEMBL2393916 1.00 CACNA1H (0.34) CACNA1HMELKLSSACACBCTSL
SCHEMBL2390776 0.82 LSS (0.33) CACNA1HMELKLSSACACBBRD4
SCHEMBL15342765 0.82 LSS (0.33) CACNA1HMELKLSSACACBBRD4
SCHEMBL2390774 0.82 LSS (0.33) CACNA1HMELKLSSACACBBRD4
SCHEMBL15342783 0.81 MDM4 (0.34) MELKLSS
SCHEMBL2390269 0.81 MDM4 (0.34) MELKLSS
SCHEMBL2390272 0.81 MDM4 (0.34) MELKLSS
SCHEMBL2391851 0.80 LSS (0.33) CACNA1HMELKLSSACACB
SCHEMBL2391849 0.80 LSS (0.33) CACNA1HMELKLSSACACB

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 580/4885LSS 3284/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 CACNA1H 4401/4885MELK 580/4885LSS 3284/4885

“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.