SCHEMBL6799337

SCHEMBL6799337

Nc1cccnc1Nc1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
EGFR P00533 4/20 0.56
GRM4 Q14833 1/20 0.56
ABCG2 Q9UNQ0 6/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
BRAF P15056 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
ABL1 P00519 1/20 0.47
ABL2 P42684 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL12222340 0.87 GRM4 (0.54) LMNAEGFRGRM4ABCG2CA12
SCHEMBL30754754 0.83 LMNA (0.60) LMNAEGFRGRM4ABCG2BRAF
SCHEMBL6804491 0.82 CA12 (0.51) LMNAEGFRCA12CA1CA2
SCHEMBL11398989 0.81 CA12 (0.62) LMNAGRM4ABCG2CA12CA1
SCHEMBL645937 0.81 EGFR (0.59) EGFRABCG2CA12CA1CA2
SCHEMBL6798480 0.81 GRM4 (0.56) EGFRGRM4ABCG2CA12CA1
SCHEMBL6796282 0.81 PIK3CD (0.57) LMNAEGFRABCG2CA12CA1
SCHEMBL6799009 0.81 EGFR (0.56) LMNAEGFRABCG2CA12CA1
SCHEMBL6798812 0.81 NPC1 (0.63) EGFRGRM4ABCG2CA12CA1
SCHEMBL30269613 0.81 GRM4 (0.56) EGFRGRM4ABCG2CA12CA1

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 10 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
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN 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
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN 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 LMNA 3681/4885EGFR 419/4885GRM4 2633/4885

“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.