SCHEMBL6804319

SCHEMBL6804319

CCOC(=O)CCc1nc2cccnc2n(-c2cccc(NC(=O)Nc3ccccc3OC)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
MAPT P10636 6/20 0.45
PIK3R2 O00459 1/20 0.43
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
AHR P35869 1/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 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
SCHEMBL6804231 0.94 MAPT (0.44) TP53MAPTPIK3R2NTRK1NTRK2
SCHEMBL6804034 0.94 MAPT (0.47) TP53MAPTPIK3R2NTRK1NTRK2
SCHEMBL6797256 0.91 MAPT (0.49) TP53MAPTPIK3R2NTRK1NTRK2
SCHEMBL6793286 0.90 MAPT (0.45) TP53MAPTPIK3R2NTRK1NTRK2
SCHEMBL6793706 0.88 MAPT (0.43) TP53MAPTPIK3R2RAB9ANPC1
SCHEMBL6793285 0.87 MAPT (0.47) TP53MAPTPIK3R2RAB9ANPC1
SCHEMBL6797216 0.85 MAPT (0.43) TP53MAPTPIK3R2RAB9ANPC1
SCHEMBL6798550 0.85 BTK (0.52) TP53MAPTPIK3R2RAB9ANPC1
SCHEMBL6794159 0.83 BTK (0.47) TP53MAPTPIK3R2RAB9ANPC1
SCHEMBL6791497 0.82 AHR (0.51) MAPTPIK3R2RAB9ANPC1SMN1; SMN2

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 5 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

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 TP53 3947/4885MAPT 4677/4885PIK3R2 343/4885

“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.