SCHEMBL18790686

SCHEMBL18790686

Cn1ncc2ccc(-c3cncc(N4CCNCC4)n3)cc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 15/20 0.57
▸ PIM1 P11309 14/20 0.57
▸ PIM3 Q86V86 13/20 0.57
▸ ROCK2 O75116 2/20 0.54
▸ ROCK1 Q13464 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL22236803 0.91 ROCK2 (0.56) PIM2PIM1PIM3ROCK2ROCK1
SCHEMBL18790685 0.80 PIM2 (0.48) PIM2PIM1PIM3
SCHEMBL18790689 0.77 CYP11B2 (0.44) PIM2PIM1PIM3HTR1AHTR2C
SCHEMBL22236781 0.77 ROCK2 (0.58) PIM2PIM1PIM3ROCK2ROCK1
SCHEMBL20514060 0.76 PIM2 (0.42) PIM2PIM1PIM3
SCHEMBL18790696 0.76 CYP11B2 (0.61) PIM2PIM1PIM3
SCHEMBL20708236 0.75 CDK8 (0.56) HTR1A
SCHEMBL30567231 0.75 CDK8 (0.56) HTR1A
SCHEMBL8514096 0.75 ROCK2 (0.55) PIM2PIM1PIM3ROCK2ROCK1
SCHEMBL18791029 0.74 HTR2A (0.60) PIM2PIM1PIM3ROCK2ROCK1

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 PIM2 4330/4885PIM1 3759/4885PIM3 4100/4885

“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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