SCHEMBL6801941

SCHEMBL6801941

COc1ccc(Nc2ncccc2N)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
PIK3CA P42336 1/20 0.48
EPHA2 P29317 1/20 0.48
KDR P35968 1/20 0.48
EPHB4 P54760 1/20 0.48
PDE4A P27815 8/20 0.46
GRM4 Q14833 1/20 0.45
PDE4D Q08499 6/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
C5AR1 P21730 1/20 0.42

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
SCHEMBL6798943 0.90 PDE4A (0.50) PDE4APDE4DPDE4BPDE4C
SCHEMBL1157431 0.83 POLB (0.55) POLBEPHA2KDREPHB4PDE4A
SCHEMBL1157936 0.83 PDE5A (0.54) POLBEPHA2KDREPHB4PDE4A
SCHEMBL6798358 0.82 L3MBTL1 (0.54) POLBEPHA2KDREPHB4PDE4A
SCHEMBL1157396 0.81 POLB (0.53) POLBPDE4APDE4DPDE4BPDE4C
SCHEMBL1157747 0.80 QRFPR (0.61) POLBEPHA2KDREPHB4PDE4A
SCHEMBL1157469 0.80 EPHA2 (0.51) POLBEPHA2KDREPHB4PDE4A
SCHEMBL1157580 0.78 POLB (0.54) POLBPDE4AGRM4PDE4DPDE4B
SCHEMBL1157509 0.78 PDE4A (0.57) POLBPDE4APDE4DPDE4BPDE4C
SCHEMBL7105117 0.77 GAK (0.51) POLBEPHA2KDREPHB4PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO 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 (1 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 POLB 2668/4885PIK3CA 2961/4885EPHA2 931/4885

“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.