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Sugi Predict / Compounds / SCHEMBL2392750

SCHEMBL2392750

SCHEMBL2392750

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.40
▸ PBK Q96KB5 1/20 0.36
▸ DRD2 P14416 8/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ ACACB O00763 2/20 0.34
▸ DDB1 Q16531 2/20 0.34
▸ CRBN Q96SW2 2/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ACACA Q13085 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
SCHEMBL2392752 1.00 EPHX1 (0.40) EPHX1PBKDRD2MALT1FPR3
SCHEMBL2394446 0.86 DRD2 (0.46) DRD2CKS1BSKP1SKP2DRD3
SCHEMBL2394449 0.86 DRD2 (0.46) DRD2CKS1BSKP1SKP2DRD3
SCHEMBL2393675 0.85 CKS1B (0.39) EPHX1PBKDRD2MALT1FPR3
SCHEMBL2393673 0.85 CKS1B (0.39) EPHX1PBKDRD2MALT1FPR3
SCHEMBL2390476 0.81 CKS1B (0.35) EPHX1DRD2MALT1FPR3FPR2
SCHEMBL2390478 0.81 CKS1B (0.35) EPHX1DRD2MALT1FPR3FPR2
SCHEMBL16087473 0.78 CNR2 (0.38) DRD2CNR2
SCHEMBL2393190 0.77 MDM2 (0.34) —
SCHEMBL2393193 0.77 MDM2 (0.34) —

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 EPHX1 3183/4885PBK 4627/4885DRD2 1974/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 EPHX1 3183/4885PBK 4627/4885DRD2 1974/4885

“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.