SCHEMBL2390642

SCHEMBL2390642

CN(CC1CCCCN1C(=O)OC(C)(C)C)c1ccc(I)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ PDE8B O95263 1/20 0.40
▸ OPRK1 P41145 2/20 0.38
▸ UTS2R Q9UKP6 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ FPR3 P25089 1/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ AHCY P23526 1/20 0.37
▸ METTL3 Q86U44 1/20 0.37
▸ STAT6 P42226 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3039427 0.86 HDAC1 (0.43) KDM1AATMPDE8BOPRD1NPC1
SCHEMBL5149773 0.83 NPC1 (0.45) KDM1AATMOPRD1NPC1CHEK2
SCHEMBL4314276 0.80 CHEK2 (0.46) KDM1ACHEK2
SCHEMBL31142635 0.80 GPR119 (0.38) ATMSTAT6
SCHEMBL4314280 0.80 CHEK2 (0.46) KDM1ACHEK2
SCHEMBL2394158 0.78 KDM4E (0.48) —
SCHEMBL2545927 0.78 RIPK1 (0.46) OPRK1OPRD1AHCY
SCHEMBL4312705 0.76 GPR119 (0.48) KDM1ACHEK2
SCHEMBL4319188 0.76 GPR119 (0.48) KDM1ACHEK2
SCHEMBL4312709 0.76 GPR119 (0.48) KDM1ACHEK2

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 14 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
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
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 KDM1A 1216/4885ATM 800/4885PDE8B 4335/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 KDM1A 1216/4885ATM 800/4885PDE8B 4335/4885

“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.

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