SCHEMBL12888472

SCHEMBL12888472

Cc1c(Cl)nc(-c2ccc(Cl)c(F)c2)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ KMO O15229 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ GRM2 Q14416 2/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 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
SCHEMBL12888477 0.85 NPC1 (0.43) CYP1A2NPC1RAB9ATRPV1KMO
SCHEMBL12888333 0.83 ABL1 (0.44) CYP1A2NPC1RAB9ATRPV1KMO
SCHEMBL12888478 0.81 DHPS (0.43) CYP1A2NPC1RAB9AKMOABL1
SCHEMBL12884908 0.79 NPC1 (0.44) CYP1A2NPC1RAB9ATRPV1KMO
SCHEMBL12885490 0.78 KMO (0.40) CYP1A2NPC1RAB9ATRPV1KMO
SCHEMBL12888460 0.77 PTGS2 (0.51) NPC1RAB9AKCNH2LMNAPTGS2
SCHEMBL20777675 0.77 L3MBTL1 (0.59) CYP1A2NPC1RAB9ATRPV1KMO
SCHEMBL20597245 0.76 MEN1 (0.46) CYP1A2NPC1RAB9AKMOEGLN2
SCHEMBL12884910 0.76 KMO (0.44) CYP1A2NPC1RAB9ATRPV1KMO
SCHEMBL12888335 0.75 KMO (0.43) CYP1A2NPC1RAB9ATRPV1KMO

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 CYP1A2 1023/4885NPC1 2843/4885RAB9A 4673/4885

“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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