SCHEMBL6798378

SCHEMBL6798378

O=C(Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
KDM4E B2RXH2 5/20 0.49
KMT2A Q03164 5/20 0.49
HSD17B10 Q99714 5/20 0.49
ALDH1A1 P00352 4/20 0.49
ESR1 P03372 2/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
PKM P14618 2/20 0.48
HPGD P15428 3/20 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
SCHEMBL6798732 0.93 ALDH1A1 (0.47) MAPTKDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL6796777 0.88 EGFR (0.49) MAPTKDM4EPOLBEGFRBTK
SCHEMBL6792958 0.88 AKT1 (0.50) MAPTKMT2APOLBEGFRBTK
SCHEMBL6801167 0.87 EGFR (0.49) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL6797148 0.86 EGFR (0.48) MAPTKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL6803889 0.86 EGFR (0.48) MAPTALDH1A1POLBSMN1; SMN2EGFR
SCHEMBL6798467 0.86 AKT1 (0.48) MAPTKDM4EKMT2AALDH1A1POLB
SCHEMBL6797365 0.85 TP53 (0.50) MAPTEGFRBTKITKLMNA
SCHEMBL6798223 0.85 KDM4E (0.48) MAPTKDM4EKMT2APOLBMEN1
SCHEMBL6793037 0.85 EGFR (0.48) MAPTALDH1A1POLBSMN1; SMN2NPC1

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 MAPT 4677/4885KDM4E 2663/4885KMT2A 968/4885

“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.