SCHEMBL6804249

SCHEMBL6804249

Nc1cccnc1Nc1cccc(-c2cccc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.44
PDE10A Q9Y233 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PIK3CD O00329 3/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CG P48736 3/20 0.41
PIK3CB P42338 2/20 0.41
MTOR P42345 2/20 0.41
MAP4K4 O95819 1/20 0.41
AHR P35869 1/20 0.41
SYK P43405 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL6796337 0.88 PRKCZ (0.49) ABCG2PDE10APIK3CDPIK3CAPIK3CG
SCHEMBL6799440 0.83 CA12 (0.43) ABCG2PDE10ACA12CA1CA2
SCHEMBL30269605 0.82 CA12 (0.49) ABCG2PDE10ACA12CA1CA2
SCHEMBL6795594 0.82 CA12 (0.49) ABCG2PDE10ACA12CA1CA2
SCHEMBL6798155 0.82 PDE10A (0.44) ABCG2PDE10ACA12CA1CA2
SCHEMBL6797836 0.81 CA12 (0.48) ABCG2PDE10ACA12CA1CA2
SCHEMBL6799781 0.80 ABCG2 (0.50) ABCG2PDE10A
SCHEMBL31016204 0.79 ALDH1A1 (0.47) CA12CA1CA2CA9
SCHEMBL17740776 0.79 ALDH1A1 (0.47) CA12CA1CA2CA9
SCHEMBL6797326 0.79 CNR1 (0.46) ABCG2PDE10ACA12CA1CA2

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 ABCG2 44/4885PDE10A 3821/4885CA12 2455/4885

“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.