SCHEMBL1365722

SCHEMBL1365722

O=C(NC1CN(c2nnnn2-c2ccccc2)C1)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGDS O60760 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR7 P34969 1/20 0.40
GRM5 P41594 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL2070049 0.90 HPGDS (0.53) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL2070308 0.82 HPGDS (0.60) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL2071078 0.81 HPGDS (0.46) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL2071074 0.81 HPGDS (0.46) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL2071070 0.81 HPGDS (0.46) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL1365108 0.78 MAP4K4 (0.50) HPGDSDRD2DRD4HTR7GRM5
SCHEMBL13690078 0.78 HPGDS (0.40) MEN1KMT2AHPGDSDRD2DRD4
SCHEMBL1365780 0.76 HCRTR1 (0.56) ALDH1A1HPGDSDRD2DRD4MAP4K4
SCHEMBL2073193 0.75 HPGDS (0.57) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL1366021 0.73 DRD2 (0.52) MEN1KMT2AHPGDSDRD2DRD4

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 11 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
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US 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
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 ALDH1A1 134/4885LMNA 1611/4885POLB 2811/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S ALDH1A1 134/4885LMNA 1611/4885POLB 2811/4885

“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.