SCHEMBL6804253

SCHEMBL6804253

Nc1cccnc1Nc1cccc(-n2cncn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
CYP2A6 P11509 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GRM4 Q14833 1/20 0.40
MAPK10 P53779 1/20 0.37
PDE10A Q9Y233 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CHRNA7 P36544 1/20 0.36
EGFR P00533 4/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
AHR P35869 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL6800200 0.80 MAPT (0.47) BRD4CREBBPCYP2A6EGFRNPC1
SCHEMBL6804491 0.75 CA12 (0.51) CA12CA1CA2CA9PDE10A
SCHEMBL7121865 0.74 BRD4 (0.40) BRD4CREBBPCYP2A6GRM4MAPK10
SCHEMBL6805000 0.73 CA1 (0.45) CA12CA1CA2CA9PDE10A
SCHEMBL1077009 0.73 CYP2A6 (0.53) BRD4CREBBPCYP2A6CHRNA7LMNA
SCHEMBL1020544 0.72 CYP2A6 (0.49) BRD4CREBBPCYP2A6MAPK10HDAC1
SCHEMBL6796282 0.71 PIK3CD (0.57) CA12CA1CA2CA9HDAC6
SCHEMBL645937 0.71 EGFR (0.59) CA12CA1CA2CA9EGFR
SCHEMBL30269613 0.71 GRM4 (0.56) CA12CA1CA2CA9GRM4
SCHEMBL6798812 0.71 NPC1 (0.63) CA12CA1CA2CA9GRM4

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-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
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 BRD4 108/4885CREBBP 2167/4885CYP2A6 49/4885

“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.