SCHEMBL15965815

SCHEMBL15965815

Nc1cccnc1Nc1cc(F)c(Cl)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
PIK3CA P42336 5/20 0.44
PDE10A Q9Y233 1/20 0.43
GRM4 Q14833 8/20 0.43
MTOR P42345 1/20 0.40
PIK3R1 P27986 1/20 0.40
BACE1 P56817 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MET P08581 1/20 0.38

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
SCHEMBL15965812 0.85 CA12 (0.50) CA12CA1CA2CA9PIK3CA
SCHEMBL12222340 0.82 GRM4 (0.54) CA12CA1CA2CA9PIK3CA
SCHEMBL15965810 0.79 PIK3CA (0.51) CA12CA1CA2CA9PIK3CA
SCHEMBL11398989 0.77 CA12 (0.62) CA12CA1CA2CA9PDE10A
SCHEMBL11394107 0.77 CA12 (0.62) CA12CA1CA2CA9PDE10A
SCHEMBL31227531 0.76 CA12 (0.45) CA12CA1CA2CA9PIK3CA
SCHEMBL6799337 0.76 LMNA (0.63) CA12CA1CA2CA9PDE10A
SCHEMBL6798812 0.76 NPC1 (0.63) CA12CA1CA2CA9GRM4
SCHEMBL15954728 0.76 MAPT (0.55) LMNANPC1HTT
SCHEMBL15953619 0.76 CA12 (0.47) CA12CA1CA2CA9PIK3CA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815832-B2 Azabenzimidazole compounds PFIZER INC. (US) 2017-11-14 US disclosed
US-9815832-B2 Azabenzimidazole compounds PFIZER INC. (US) 2017-11-14 US disclosed
EP-2958915-B1 AZABENZIMIDAZOLE COMPOUNDS AS INHIBITORS OF PDE4 ISOZYMES FOR THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER (US) 2017-07-05 EP disclosed
US-20150322065-A1 Azabenzimidazole Compounds PFIZER (US) 2015-11-12 US disclosed
US-20150322065-A1 Azabenzimidazole Compounds PFIZER (US) 2015-11-12 US disclosed
US-9120788-B2 Azabenzimidazole compounds PFIZER INC. (US) 2015-09-01 US disclosed
US-9120788-B2 Azabenzimidazole compounds PFIZER INC. (US) 2015-09-01 US disclosed
WO-2014128585-A1 AZABENZIMIDAZOLE COMPOUNDS AS INHIBITORS OF PDE4 ISOZYMES FOR THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER INC. (US) 2014-08-28 WO disclosed
US-20140235612-A1 Azabenzimidazole Compounds PFIZER (US) 2014-08-21 US disclosed
US-20140235612-A1 Azabenzimidazole Compounds PFIZER (US) 2014-08-21 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 (2 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-20150322065-A1 Azabenzimidazole Compounds AZI2, HDAC6, ABL1 CA12 359/4885CA1 2741/4885CA2 1048/4885
US-20140235612-A1 Azabenzimidazole Compounds AZI2, HDAC6, ABL1 CA12 359/4885CA1 2741/4885CA2 1048/4885

“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.