SCHEMBL1366728

SCHEMBL1366728

O=C(NC1CCN(c2cccnn2)CC1)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
SMO Q99835 1/20 0.46
HTR7 P34969 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MAP4K4 O95819 1/20 0.42
GRM5 P41594 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
DYRK1A Q13627 1/20 0.41
GABRA5 P31644 2/20 0.41
SLC6A7 Q99884 1/20 0.41
CCNE1 P24864 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
SCHEMBL2071398 0.90 HPGDS (0.65) HPGDSCKS1BSKP1SKP2SMO
SCHEMBL2072621 0.87 HPGDS (0.47) HPGDSCKS1BSKP1SKP2SMO
SCHEMBL348209 0.78 HPGDS (0.56) HPGDSHTR7DRD2DRD4MAP4K4
SCHEMBL1365939 0.78 HPGDS (0.61) HPGDSHTR7DRD2DRD4KMT2A
SCHEMBL1366085 0.77 CCR3 (0.61) HPGDSDRD2DRD4
SCHEMBL347916 0.77 HPGDS (0.80) HPGDSHTR7DRD2DRD4DYRK1A
SCHEMBL1365756 0.77 HPGDS (0.55) HPGDSHTR7DRD2DRD4MAP4K4
SCHEMBL1365098 0.77 HPGDS (0.52) HPGDSHTR7DRD2MAP4K4GRM5
SCHEMBL10252034 0.77 GABRA5 (0.58) HPGDSMAP4K4GRM5DYRK1AGABRA5
SCHEMBL1366021 0.77 DRD2 (0.52) HPGDSHTR7DRD2DRD4MAP4K4

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 HPGDS 99/4885CKS1B 3390/4885SKP1 2507/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885CKS1B 3390/4885SKP1 2507/4885

“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.