SCHEMBL12888478

SCHEMBL12888478

COc1c(Cl)nc(-c2ccc(Cl)c(F)c2)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 13/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ PDE4D Q08499 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL12888334 0.84 CYP1A2 (0.41) CYP1A2PDE4DKMONPC1RAB9A
SCHEMBL12888472 0.81 CYP1A2 (0.42) CYP1A2PDE4DKMONPC1RAB9A
SCHEMBL12888477 0.81 NPC1 (0.43) CYP1A2PDE4DKMONPC1RAB9A
SCHEMBL18096156 0.80 DHPS (0.61) DHPSNPC1RAB9APDGFRBPDGFRA
SCHEMBL1809226 0.77 PDGFRB (0.48) DHPSPDGFRBPDGFRA
SCHEMBL12888295 0.77 PDE4D (0.38) DHPSCYP1A2PDE4DKMOABL1
SCHEMBL12884908 0.75 NPC1 (0.44) CYP1A2PDE4DKMONPC1RAB9A
SCHEMBL1397142 0.75 KMO (0.44) DHPSPDE4DKMO
SCHEMBL12885490 0.74 KMO (0.40) CYP1A2PDE4DKMONPC1RAB9A
SCHEMBL1396995 0.73 DHPS (0.41) DHPSNPC1RAB9APTGS2

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 DHPS 1620/4885CYP1A2 1023/4885PDE4D 3025/4885

“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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