SCHEMBL12888477

SCHEMBL12888477

Fc1cc(-c2nc(Cl)c(F)c(Cl)n2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMO O15229 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ EGLN2 Q96KS0 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ PDE4D Q08499 2/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KCNQ3 O43525 1/20 0.33

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
SCHEMBL12888472 0.85 CYP1A2 (0.42) NPC1RAB9AKMOCYP1A2EGLN2
SCHEMBL12884908 0.82 NPC1 (0.44) NPC1RAB9AKMOCYP1A2EGLN2
SCHEMBL12888335 0.81 KMO (0.43) NPC1RAB9AKMOCYP1A2EGLN2
SCHEMBL12888478 0.81 DHPS (0.43) NPC1RAB9AKMOCYP1A2ABL1
SCHEMBL12885490 0.81 KMO (0.40) NPC1RAB9AKMOCYP1A2EGLN2
SCHEMBL20597245 0.79 MEN1 (0.46) NPC1RAB9AKMOCYP1A2EGLN2
SCHEMBL12884910 0.79 KMO (0.44) NPC1RAB9AKMOCYP1A2EGLN2
SCHEMBL13789439 0.77 AXL (0.39) NPC1RAB9AKMOCYP1A2ABL1
SCHEMBL22578247 0.77 MEN1 (0.53) KMOMEN1KMT2A
SCHEMBL29993075 0.76 AHR (0.55) KMOEGLN2ABL1KCNH2AHR

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 NPC1 2843/4885RAB9A 4673/4885KMO 231/4885

“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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