SCHEMBL20514040

SCHEMBL20514040

CO[C@H]1CC[C@H](C(C(N)=O)N2CCN(c3cncc(-c4ccc5cnn(C)c5c4)n3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.43
▸ PIM2 Q9P1W9 5/20 0.37
▸ PIM3 Q86V86 4/20 0.37
▸ DYRK1A Q13627 3/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ CSNK2A1 P68400 2/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.34
▸ EML4 Q9HC35 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ GSK3B P49841 1/20 0.34

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
SCHEMBL20514060 0.80 PIM2 (0.42) CYP11B2PIM2PIM3DYRK1APIM1
SCHEMBL20514041 0.79 CYP11B2 (0.68) CYP11B2DYRK1AWNT1GSK3B
SCHEMBL18790689 0.74 CYP11B2 (0.44) CYP11B2PIM2PIM3DYRK1ACLK2
SCHEMBL18790685 0.73 PIM2 (0.48) CYP11B2PIM2PIM3DYRK1APIM1
SCHEMBL18790696 0.71 CYP11B2 (0.61) CYP11B2PIM2PIM3DYRK1APIM1
SCHEMBL18790686 0.70 PIM2 (0.57) PIM2PIM3PIM1
SCHEMBL18790687 0.69 CYP11B2 (0.49) CYP11B2PIM2PIM3DYRK1APIM1
SCHEMBL22236803 0.63 ROCK2 (0.56) PIM2PIM3DYRK1ACLK2CLK3
SCHEMBL2213818 0.62 PIM2 (0.74) PIM2PIM1CSNK2A1CSNK2A2
SCHEMBL2213829 0.62 PIM2 (0.74) PIM2PIM1CSNK2A1CSNK2A2

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 8 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
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 CYP11B2 8/4885PIM2 4330/4885PIM3 4100/4885
US-20180312503-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND REN, NR3C2, NR5A1 CYP11B2 8/4885PIM2 4265/4885PIM3 4101/4885

“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.

Send feedback