SCHEMBL20514060

SCHEMBL20514060

CC(C)C(C(N)=O)N1CCN(c2cncc(-c3ccc4cnn(C)c4c3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 6/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ PIM1 P11309 7/20 0.41
▸ CSNK2A1 P68400 7/20 0.41
▸ PIM3 Q86V86 5/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ CCNC P24863 1/20 0.38
▸ ERCC1 P07992 1/20 0.38
▸ ERCC4 Q92889 1/20 0.38

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
SCHEMBL20514040 0.80 CYP11B2 (0.43) PIM2CYP11B2PIM1CSNK2A1PIM3
SCHEMBL18790685 0.79 PIM2 (0.48) PIM2CYP11B2PIM1CSNK2A1PIM3
SCHEMBL18790696 0.79 CYP11B2 (0.61) PIM2CYP11B2PIM1CSNK2A1PIM3
SCHEMBL18790687 0.76 CYP11B2 (0.49) PIM2CYP11B2PIM1CSNK2A1PIM3
SCHEMBL18790686 0.76 PIM2 (0.57) PIM2PIM1PIM3
SCHEMBL18790689 0.76 CYP11B2 (0.44) PIM2CYP11B2PIM1CSNK2A1PIM3
SCHEMBL18489986 0.71 CYP11B2 (0.51) CYP11B2
SCHEMBL28544147 0.71 CYP11B2 (0.51) CYP11B2
SCHEMBL20514041 0.70 CYP11B2 (0.68) CYP11B2GSK3BDYRK1A
SCHEMBL22236803 0.68 ROCK2 (0.56) PIM2PIM1PIM3CDK8DYRK1A

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 4 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 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

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 PIM2 4330/4885CYP11B2 8/4885TRPV1 3720/4885
US-20180312503-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND REN, NR3C2, NR5A1 PIM2 4265/4885CYP11B2 8/4885TRPV1 3416/4885

“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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