SCHEMBL6799786

SCHEMBL6799786

O=C(Nc1cccc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
BTK Q06187 1/20 0.49
ITK Q08881 1/20 0.49
KCNK3 O14649 2/20 0.47
AKT1 P31749 2/20 0.47
POLB P06746 3/20 0.44
HMOX1 P09601 1/20 0.44
HMOX2 P30519 1/20 0.44
NAMPT P43490 3/20 0.43
TP53 P04637 1/20 0.43
PRKD3 O94806 1/20 0.43
ABL1 P00519 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PDGFRB P09619 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43

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
SCHEMBL6801992 0.95 EGFR (0.51) EGFRBTKITKKCNK3AKT1
Hydrochloric Acid SCHEMBL6791483 0.94 AKT1 (0.46) EGFRBTKITKKCNK3AKT1
SCHEMBL6792958 0.94 AKT1 (0.50) EGFRBTKITKKCNK3AKT1
SCHEMBL6796777 0.92 EGFR (0.49) EGFRBTKITKKCNK3AKT1
SCHEMBL6797776 0.92 NPC1 (0.46) EGFRBTKITKAKT1HMOX1
SCHEMBL6795914 0.92 MAPT (0.47) EGFRBTKITKPOLBTP53
SCHEMBL6795984 0.92 EGFR (0.47) EGFRBTKITKAKT1POLB
SCHEMBL6793037 0.91 EGFR (0.48) EGFRBTKITKKCNK3AKT1
Hydrochloric Acid SCHEMBL6796791 0.91 EGFR (0.46) EGFRBTKITKAKT1POLB
SCHEMBL6954213 0.91 EGFR (0.44) EGFRBTKITKAKT1POLB

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 EGFR 419/4885BTK 2100/4885ITK 4538/4885

“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.