SCHEMBL18790696

SCHEMBL18790696

CC(C)NC(=O)CN1CCN(c2cncc(-c3ccc4cnn(C)c4c3)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 8/20 0.61
▸ PIM1 P11309 4/20 0.44
▸ CSNK2A1 P68400 4/20 0.44
▸ PIM2 Q9P1W9 4/20 0.44
▸ NOS3 P29474 1/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ RET P07949 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ UGT8 Q16880 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42

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
SCHEMBL18790687 0.88 CYP11B2 (0.49) CYP11B2PIM1CSNK2A1PIM2DYRK1A
SCHEMBL18790685 0.86 PIM2 (0.48) CYP11B2PIM1CSNK2A1PIM2DYRK1A
SCHEMBL18790689 0.83 CYP11B2 (0.44) CYP11B2PIM1CSNK2A1PIM2DYRK1A
SCHEMBL20514041 0.81 CYP11B2 (0.68) CYP11B2DYRK1AGSK3BLRRK2
SCHEMBL18790991 0.81 CYP11B2 (0.90) CYP11B2PIM1CSNK2A1PIM2NOS3
SCHEMBL18790698 0.79 CYP11B2 (0.56) CYP11B2PIM1CSNK2A1PIM2NOS3
SCHEMBL20514060 0.79 PIM2 (0.42) CYP11B2PIM1CSNK2A1PIM2DYRK1A
SCHEMBL18791085 0.79 CYP11B2 (0.73) CYP11B2NOS3NOS1RETUGT8
SCHEMBL18790686 0.76 PIM2 (0.57) PIM1PIM2PIM3
SCHEMBL18790990 0.74 ALDH1A1 (0.52) CYP11B2UGT8CYP11B1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3381904-B1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-07-28 — — EP claimed
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 — — US claimed
US-20180312503-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-11-01 — — US claimed
EP-3381904-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-10-03 — — EP claimed
EP-3381904-B1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-07-28 — — EP disclosed
EP-3381904-B1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-07-28 — — EP disclosed
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 — — US disclosed
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 — — US disclosed
US-20180312503-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-11-01 — — US disclosed
EP-3381904-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-10-03 — — EP disclosed
WO-2017069226-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2017-04-27 — — WO 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-10717731-B2 Nitrogen-containing aromatic heterocyclic compound REN, NR3C2, NR5A1 CYP11B2 8/4885PIM1 3759/4885CSNK2A1 1560/4885
US-20180312503-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND REN, NR3C2, NR5A1 CYP11B2 8/4885PIM1 3675/4885CSNK2A1 1173/4885

“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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