SCHEMBL2390476

SCHEMBL2390476

CN(C[C@H]1CC[C@H](N(CCNC(=O)OC(C)(C)C)C(=O)CCl)CC1)c1ccc(I)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
DRD2 P14416 7/20 0.33
REN P00797 1/20 0.33
SUV39H2 Q9H5I1 2/20 0.33
ACACB O00763 4/20 0.32
ACACA Q13085 3/20 0.32
EPHX1 P07099 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
FPR3 P25089 1/20 0.30
FPR2 P25090 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
SCHEMBL2390478 1.00 CKS1B (0.35) CKS1BSKP1SKP2DRD2REN
SCHEMBL2392752 0.81 EPHX1 (0.40) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL2392750 0.81 EPHX1 (0.40) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL2394449 0.77 DRD2 (0.46) CKS1BSKP1SKP2DRD2
SCHEMBL2394446 0.77 DRD2 (0.46) CKS1BSKP1SKP2DRD2
SCHEMBL23832625 0.76 CNR2 (0.37)
SCHEMBL2950667 0.73 KMT2A (0.40) CKS1BSKP1SKP2DRD2REN
SCHEMBL2950669 0.73 KMT2A (0.40) CKS1BSKP1SKP2DRD2REN
SCHEMBL12524368 0.73 EPHX1 (0.40) CKS1BSKP1SKP2EPHX1
SCHEMBL2389245 0.72 CNR2 (0.34) FPR3FPR2

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 10 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
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-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
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

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.