SCHEMBL1365780

SCHEMBL1365780

O=C(NC1CN(c2cnc3ccccc3n2)C1)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.56
HCRTR2 O43614 10/20 0.56
HPGDS O60760 1/20 0.43
PDE10A Q9Y233 3/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
GRM4 Q14833 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
MAP4K4 O95819 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2071663 0.90 HCRTR1 (0.56) HCRTR1HCRTR2HPGDSPDE10AGRM4
SCHEMBL2070459 0.81 HPGDS (0.64) HCRTR1HCRTR2HPGDSCKS1BSKP1
SCHEMBL2070316 0.79 HCRTR1 (0.53) HCRTR1HCRTR2HPGDSPDE10AMAP4K4
SCHEMBL2070318 0.79 HCRTR1 (0.53) HCRTR1HCRTR2HPGDSPDE10AMAP4K4
SCHEMBL2070314 0.79 HCRTR1 (0.53) HCRTR1HCRTR2HPGDSPDE10AMAP4K4
SCHEMBL1365108 0.79 MAP4K4 (0.50) HPGDSDRD2DRD4MAP4K4
SCHEMBL1365697 0.76 MAP4K4 (0.49) HPGDSDRD2DRD4MAP4K4
SCHEMBL1365722 0.76 ALDH1A1 (0.50) HPGDSDRD2DRD4MAP4K4ALDH1A1
SCHEMBL1365691 0.75 MAP4K4 (0.59) HPGDSMAP4K4
SCHEMBL13690078 0.75 HPGDS (0.40) HPGDSDRD2DRD4MAP4K4

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 15 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
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 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
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 US 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 HCRTR1 986/4885HCRTR2 1222/4885HPGDS 99/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HCRTR1 986/4885HCRTR2 1222/4885HPGDS 99/4885

“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.