SCHEMBL6798732

SCHEMBL6798732

O=C(Nc1cccc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 4/20 0.44
HSD17B10 Q99714 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
USP2 O75604 2/20 0.44
ESR1 P03372 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL6798378 0.93 MAPT (0.49) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6795984 0.87 EGFR (0.47) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL6799786 0.87 EGFR (0.49) ALDH1A1MAPTKMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL6796791 0.86 EGFR (0.46) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL6797010 0.86 CSF1R (0.47) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6796852 0.85 BTK (0.44) ALDH1A1MAPTPOLBGAA
SCHEMBL6795914 0.85 MAPT (0.47) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6793646 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL6954213 0.84 EGFR (0.44) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6796375 0.84 EGFR (0.46) MAPTPOLBTDP1GAA

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 ALDH1A1 339/4885MAPT 4677/4885KMT2A 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.