SCHEMBL6799009

SCHEMBL6799009

Nc1cccnc1Nc1cccc(I)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.56
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.46
PDE10A Q9Y233 1/20 0.44
TDO2 P48775 1/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
FBP1 P09467 1/20 0.41
ERBB2 P04626 1/20 0.40
ERBB4 Q15303 1/20 0.40
AR P10275 1/20 0.40
HTR2B P41595 1/20 0.40
PIK3CD O00329 3/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CG P48736 3/20 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
SCHEMBL6804491 0.82 CA12 (0.51) EGFRCA12CA1CA2CA9
SCHEMBL13515064 0.81 CA12 (0.50) EGFRCA12CA1CA2CA9
SCHEMBL6798480 0.81 GRM4 (0.56) EGFRCA12CA1CA2CA9
SCHEMBL6799337 0.81 LMNA (0.63) EGFRCA12CA1CA2CA9
SCHEMBL6798812 0.81 NPC1 (0.63) EGFRCA12CA1CA2CA9
SCHEMBL6796282 0.81 PIK3CD (0.57) EGFRCA12CA1CA2CA9
SCHEMBL30269613 0.81 GRM4 (0.56) EGFRCA12CA1CA2CA9
SCHEMBL645937 0.81 EGFR (0.59) EGFRCA12CA1CA2CA9
SCHEMBL11731664 0.80 EGFR (0.46) EGFRABCG2TDO2LMNANPC1
SCHEMBL6795594 0.79 CA12 (0.49) EGFRCA12CA1CA2CA9

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 EGFR 419/4885CA12 2455/4885CA1 3131/4885

“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.