SCHEMBL18790689

SCHEMBL18790689

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.44
▸ PIM2 Q9P1W9 6/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ ITGB2 P05107 1/20 0.42
▸ ICAM1 P05362 1/20 0.42
▸ ITGAL P20701 1/20 0.42
▸ RAD52 P43351 1/20 0.41
▸ PIM1 P11309 3/20 0.41
▸ CSNK2A1 P68400 2/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ PIM3 Q86V86 3/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ CDK8 P49336 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ CCNC P24863 1/20 0.39

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
SCHEMBL18790685 0.88 PIM2 (0.48) CYP11B2PIM2LRRK2RAD52PIM1
SCHEMBL18790696 0.83 CYP11B2 (0.61) CYP11B2PIM2LRRK2RAD52PIM1
SCHEMBL20514041 0.81 CYP11B2 (0.68) CYP11B2LRRK2DYRK1A
SCHEMBL18790687 0.81 CYP11B2 (0.49) CYP11B2PIM2LRRK2RAD52PIM1
SCHEMBL18502910 0.79 CYP11B2 (0.68) CYP11B2
SCHEMBL18790686 0.77 PIM2 (0.57) PIM2PIM1PIM3HTR1AHTR2C
SCHEMBL20514060 0.76 PIM2 (0.42) CYP11B2PIM2RAD52PIM1CSNK2A1
SCHEMBL18790989 0.76 CYP11B2 (0.46) CYP11B2PIM2ITGB2ICAM1ITGAL
SCHEMBL20514040 0.74 CYP11B2 (0.43) CYP11B2PIM2RAD52PIM1CSNK2A1
SCHEMBL22236803 0.69 ROCK2 (0.56) PIM2PIM1PIM3DYRK1ACLK2

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 3 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 disclosed
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 — — US 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 (1 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 4330/4885LRRK2 1712/4885

“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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