SCHEMBL6799593

SCHEMBL6799593

Nc1cccnc1Nc1cccc(-c2c[nH]cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PDE10A Q9Y233 1/20 0.40
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
BCR P11274 1/20 0.38
SRC P12931 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
CAMK2D Q13557 1/20 0.37
PIK3CD O00329 3/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CG P48736 3/20 0.37
PIK3CB P42338 2/20 0.37
MTOR P42345 2/20 0.37
LMNA P02545 2/20 0.36
GRM4 Q14833 2/20 0.36

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
SCHEMBL6797326 0.81 CNR1 (0.46) CA12CA1CA2CA9PDE10A
SCHEMBL6798072 0.80 MAPT (0.48) ABL1EGFRBCRSRCNPC1
SCHEMBL6795594 0.79 CA12 (0.49) CA12CA1CA2CA9PDE10A
SCHEMBL30269605 0.79 CA12 (0.49) CA12CA1CA2CA9PDE10A
SCHEMBL6797836 0.78 CA12 (0.48) CA12CA1CA2CA9PDE10A
SCHEMBL6794259 0.77 EGFR (0.53) CA12CA1CA2CA9PDE10A
SCHEMBL6798713 0.77 CA12 (0.47) CA12CA1CA2CA9PDE10A
SCHEMBL2642013 0.76 MEN1 (0.55) CA12CA1CA2CA9ABL1
SCHEMBL30269613 0.75 GRM4 (0.56) CA12CA1CA2CA9ABL1
SCHEMBL6798480 0.75 GRM4 (0.56) CA12CA1CA2CA9ABL1

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 CA12 2455/4885CA1 3131/4885CA2 571/4885

“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.