SCHEMBL6800418

SCHEMBL6800418

CC(=O)Nc1ccc(-c2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.43
EGFR P00533 2/20 0.43
BTK Q06187 1/20 0.43
ITK Q08881 1/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
PTGIR P43119 1/20 0.41
CYP17A1 P05093 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AURKA O14965 1/20 0.40
AKT2 P31751 2/20 0.40
AKT3 Q9Y243 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
FLT3 P36888 1/20 0.39
BLK P51451 1/20 0.39
BRAF P15056 1/20 0.39
MAPT P10636 4/20 0.39
PORCN Q9H237 1/20 0.38

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
SCHEMBL6801778 0.94 EGFR (0.45) AKT1EGFRBTKITKCYP11B1
SCHEMBL6797690 0.92 EGFR (0.46) AKT1EGFRBTKITKCYP11B1
SCHEMBL6798795 0.91 EGFR (0.49) AKT1EGFRBTKITKCYP11B1
Hydrochloric Acid SCHEMBL6796872 0.87 EGFR (0.43) AKT1EGFRBTKITKCYP11B1
SCHEMBL6797019 0.87 MAPT (0.48) AKT1EGFRBTKITKCYP11B1
SCHEMBL6798942 0.87 EGFR (0.46) AKT1EGFRBTKITKRAB9A
SCHEMBL6801892 0.87 EGFR (0.44) AKT1EGFRBTKITKNPC1
SCHEMBL6804831 0.86 NPC1 (0.44) EGFRBTKITKNPC1RAB9A
SCHEMBL6793970 0.86 MAPT (0.48) AKT1EGFRBTKITKCYP11B1
SCHEMBL6796370 0.86 AKT1 (0.48) AKT1EGFRBTKITKRAB9A

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 6 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
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 AKT1 1552/4885EGFR 419/4885BTK 2100/4885

“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.