SCHEMBL6801778

SCHEMBL6801778

CC(=O)Nc1cccc(-c2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.45
BTK Q06187 1/20 0.45
ITK Q08881 1/20 0.45
PTGIR P43119 1/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP17A1 P05093 1/20 0.43
AKT1 P31749 7/20 0.43
AKT2 P31751 5/20 0.43
AKT3 Q9Y243 5/20 0.43
CYP2C9 P11712 2/20 0.43
TGFBR1 P36897 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
STAT1 P42224 1/20 0.41
ATR Q13535 1/20 0.40
GAA P10253 2/20 0.40
FLT3 P36888 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
SCHEMBL6798795 0.95 EGFR (0.49) EGFRBTKITKCYP11B1CYP11B2
SCHEMBL6800418 0.94 AKT1 (0.43) EGFRBTKITKPTGIRCYP11B1
Hydrochloric Acid SCHEMBL6796872 0.93 EGFR (0.43) EGFRBTKITKPTGIRCYP11B1
SCHEMBL6801892 0.92 EGFR (0.44) EGFRBTKITKAKT1NPC1
SCHEMBL6804831 0.92 NPC1 (0.44) EGFRBTKITKNPC1RAB9A
SCHEMBL6798942 0.91 EGFR (0.46) EGFRBTKITKAKT1CYP2C9
SCHEMBL6792261 0.90 EGFR (0.43) EGFRBTKITKNPC1SMN1; SMN2
SCHEMBL6795759 0.89 EGFR (0.42) EGFRBTKITKPTGIRAKT1
Hydrochloric Acid SCHEMBL6803633 0.89 EGFR (0.43) EGFRBTKITKAKT1SMN1; SMN2
Hydrochloric Acid SCHEMBL6795614 0.89 JAK2 (0.44) EGFRBTKITKAKT1NPC1

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 11 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-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 EP disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 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-0874845-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-04 EP disclosed
WO-1997024355-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-10 WO 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.