SCHEMBL12888296

SCHEMBL12888296

COC(=O)C1(Oc2nc(-c3ccc(Cl)c(F)c3)nc(Cl)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.36
▸ PDE4D Q08499 5/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ KMO O15229 2/20 0.34
▸ ACACB O00763 2/20 0.34
▸ ACACA Q13085 2/20 0.34
▸ CTSA P10619 3/20 0.33
▸ TSPO P30536 1/20 0.33
▸ CYP11B1 P15538 4/20 0.33
▸ CYP11B2 P19099 4/20 0.33
▸ PDE4B Q07343 4/20 0.33
▸ PDE4A P27815 3/20 0.33
▸ PDE4C Q08493 3/20 0.33
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL12888294 0.91 ABL1 (0.36) ABL1PDE4DCYP1A2KMOACACB
SCHEMBL12888295 0.90 PDE4D (0.38) ABL1PDE4DCYP1A2KMOACACB
SCHEMBL12888350 0.87 DHPS (0.37) —
SCHEMBL12888353 0.87 MEN1 (0.36) —
SCHEMBL12884962 0.83 KMO (0.38) ABL1PDE4DCYP1A2KMOACACB
SCHEMBL12888234 0.79 KMO (0.37) ABL1PDE4DCYP1A2KMOCYP11B1
SCHEMBL12888442 0.77 PDE4B (0.38) PDE4DPDE4B
SCHEMBL12888351 0.77 PTGS2 (0.40) —
SCHEMBL12885476 0.75 PDE4D (0.36) ABL1PDE4DKMOACACBACACA
SCHEMBL12885009 0.75 KMO (0.42) ABL1PDE4DKMOACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 — — US disclosed
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 — — US disclosed
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 — — US disclosed
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 — — US disclosed
WO-2009125870-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS. MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 — — 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-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS KCNJ2, KCNJ1, KCNJ11 ABL1 661/4885PDE4D 3025/4885CYP1A2 1023/4885

“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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