SCHEMBL12888333

SCHEMBL12888333

Cc1c(O)nc(-c2ccc(Cl)c(F)c2)nc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ KMO O15229 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ PDE4D Q08499 2/20 0.37
▸ KDM4C Q9H3R0 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ESR1 P03372 3/20 0.35
▸ ESR2 Q92731 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FFAR1 O14842 1/20 0.35

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
SCHEMBL12888335 0.86 KMO (0.43) ABL1CYP1A2KMOTRPV1NPC1
SCHEMBL12884910 0.84 KMO (0.44) ABL1CYP1A2KMOTRPV1NPC1
SCHEMBL12888472 0.83 CYP1A2 (0.42) ABL1CYP1A2KMOTRPV1NPC1
SCHEMBL12888334 0.83 CYP1A2 (0.41) ABL1CYP1A2KMOTRPV1NPC1
SCHEMBL12884908 0.77 NPC1 (0.44) ABL1CYP1A2KMOTRPV1NPC1
SCHEMBL12885443 0.76 KMO (0.42) ABL1CYP1A2KMONPC1RAB9A
SCHEMBL12888477 0.75 NPC1 (0.43) ABL1CYP1A2KMOTRPV1NPC1
SCHEMBL12888433 0.74 RAB9A (0.44) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL3162486 0.74 NPC1 (0.50) CYP1A2NPC1RAB9AKDM4EMEN1
SCHEMBL20777675 0.74 L3MBTL1 (0.59) ABL1CYP1A2KMOTRPV1NPC1

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 4 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

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 661/4885CYP1A2 1023/4885KMO 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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