SCHEMBL6799716

SCHEMBL6799716

Nc1cccc(C(=O)c2ccc3ccccn23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.56
LMNA P02545 3/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 2/20 0.40
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
KDR P35968 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38

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
SCHEMBL6219753 0.84 FNTA (0.53) LMNAPOLBNPC1FNTAFNTB
SCHEMBL6799922 0.79 MAPT (0.65) MITFMAPTL3MBTL1PRSS1PRSS2
SCHEMBL6220270 0.78 SRD5A2 (0.45) NPC1FNTAFNTBMAPTL3MBTL1
SCHEMBL6219974 0.75 ALDH1A1 (0.47) LMNANPC1FNTAFNTBMAPT
SCHEMBL125621 0.74 PBRM1 (0.87) PBRM1LMNAPOLBNPC1MITF
SCHEMBL9282073 0.74 PBRM1 (0.87) PBRM1LMNAPOLBNPC1MITF
SCHEMBL29363032 0.74 PBRM1 (0.87) PBRM1LMNAPOLBNPC1MITF
SCHEMBL30733928 0.74 PARP1 (0.46) NPC1FNTAFNTBMAPTL3MBTL1
SCHEMBL30733965 0.74 PARP1 (0.46) POLBNPC1FNTAFNTBMAPT
SCHEMBL30733925 0.74 POLB (0.57) POLBSMN1; SMN2ALDH1A1

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 PBRM1 537/4885LMNA 3681/4885POLB 2668/4885

“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.