SCHEMBL2393673

SCHEMBL2393673

CN(C[C@H]1CC[C@H](NCCNC(=O)OC(C)(C)C)CC1)c1ccc(I)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
PBK Q96KB5 1/20 0.38
CACNA1H O95180 1/20 0.37
EPHX1 P07099 1/20 0.36
CNR2 P34972 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
ACACB O00763 2/20 0.34
ACACA Q13085 2/20 0.34
DRD2 P14416 3/20 0.34
GPR119 Q8TDV5 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
S1PR1 P21453 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
FPR3 P25089 1/20 0.33

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
SCHEMBL2393675 1.00 CKS1B (0.39) CKS1BSKP1SKP2PBKCACNA1H
SCHEMBL2393433 0.87 DRD2 (0.42) CKS1BSKP1SKP2PBKCACNA1H
SCHEMBL2393427 0.87 DRD2 (0.42) CKS1BSKP1SKP2PBKCACNA1H
SCHEMBL2392750 0.85 EPHX1 (0.40) CKS1BSKP1SKP2PBKEPHX1
SCHEMBL2392752 0.85 EPHX1 (0.40) CKS1BSKP1SKP2PBKEPHX1
SCHEMBL12258927 0.81 DRD2 (0.41) CKS1BSKP1SKP2PBKDRD2
SCHEMBL2392514 0.79 CACNA1H (0.36) CACNA1HACACBCTSLCTSSCTSK
SCHEMBL2392518 0.79 CACNA1H (0.36) CACNA1HACACBCTSLCTSSCTSK
SCHEMBL12258803 0.78 CACNA1H (0.35) CACNA1H
SCHEMBL2390604 0.77 MDM4 (0.39) 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 12 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
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 CKS1B 125/4885SKP1 533/4885SKP2 114/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 CKS1B 125/4885SKP1 533/4885SKP2 114/4885

“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.