SCHEMBL12888460

SCHEMBL12888460

Cc1c(Cl)nc(-c2ccc(F)cc2)nc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.51
▸ DHPS P49366 2/20 0.47
▸ LMNA P02545 1/20 0.44
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ TXN P10599 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ KDM4C Q9H3R0 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
SCHEMBL3155930 0.83 NPC1 (0.54) DHPSLMNANPC1RAB9ASMN1; SMN2
SCHEMBL12888467 0.83 DHPS (0.45) PTGS2DHPSLMNANPC1RAB9A
SCHEMBL18096156 0.79 DHPS (0.61) PTGS2DHPSNPC1RAB9A
SCHEMBL1373850 0.78 LMNA (0.68) DHPSLMNANPC1RAB9AKMT2A
SCHEMBL12888472 0.77 CYP1A2 (0.42) PTGS2LMNANPC1RAB9AKCNH2
SCHEMBL12958862 0.77 LMNA (0.43) LMNARAB9AKMT2AMEN1ADORA2A
SCHEMBL7015467 0.77 NPC1 (0.40) PTGS2DHPSLMNANPC1RAB9A
SCHEMBL4251648 0.77 ADORA1 (0.46) PTGS2DHPSADORA2AADORA1
SCHEMBL6017000 0.77 RAB9A (0.47) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL29116868 0.76 GCGR (0.48) PTGS2DHPSNPC1RAB9ASMN1; SMN2

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 PTGS2 929/4885DHPS 1620/4885LMNA 2577/4885

“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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