SCHEMBL1365709

SCHEMBL1365709

COC(=O)c1cnc(-c2cc(F)ccc2F)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
MAPK1 P28482 3/20 0.45
MAPT P10636 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALPL P05186 1/20 0.44
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAP2K4 P45985 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TNF P01375 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NR2F2 P24468 1/20 0.41

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
SCHEMBL1367804 0.81 DHODH (0.52) DHODH
SCHEMBL26116358 0.78 PTGS1 (0.57) MAPK1MAPTNPC1RAB9ALMNA
SCHEMBL1364965 0.76 GABRA5 (0.52) MAPK1MAPTNPC1RAB9ALMNA
SCHEMBL23361393 0.75 MAPK14 (0.47) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL3210274 0.75 ADORA3 (0.48) MAPK1MAPTNPC1RAB9ALMNA
SCHEMBL12193904 0.75 MAPT (0.46) MAPK1MAPTNPC1RAB9ALMNA
SCHEMBL12193905 0.75 MAPT (0.46) MAPK1MAPTNPC1RAB9ALMNA
SCHEMBL1543130 0.74 MAPK1 (0.48) MAPK1MAPTNPC1RAB9ALMNA
SCHEMBL30461915 0.74 NOTUM (0.51) MAPK1MAPTNPC1RAB9ALMNA
SCHEMBL9907745 0.73 HTR5A (0.55) MAPTLMNASMN1; SMN2KDM4EMAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
EP-2132196-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-16 EP disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S DHODH 245/4885MAPK1 3346/4885MAPT 2278/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S DHODH 245/4885MAPK1 3346/4885MAPT 2278/4885

“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.