SCHEMBL6797838

SCHEMBL6797838

O=C(Cc1cccc2ccccc12)Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.49
ALDH1A1 P00352 3/20 0.47
EGFR P00533 1/20 0.46
BTK Q06187 1/20 0.46
ITK Q08881 1/20 0.46
TP53 P04637 4/20 0.45
POLB P06746 2/20 0.45
AKT1 P31749 2/20 0.44
AKT2 P31751 1/20 0.44
AKT3 Q9Y243 1/20 0.44
MAPT P10636 6/20 0.43
LMNA P02545 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6798999 0.86 EGFR (0.47) ALDH1A1EGFRBTKITKTP53
SCHEMBL6791857 0.86 EGFR (0.47) ALDH1A1EGFRBTKITKTP53
SCHEMBL6793474 0.86 EGFR (0.51) ALDH1A1EGFRBTKITKTP53
SCHEMBL6796480 0.85 TP53 (0.46) ALDH1A1TP53POLBAKT1AKT2
SCHEMBL6797815 0.85 KDR (0.49) EGFRBTKITKTP53AKT1
SCHEMBL6795465 0.85 MAPT (0.54) EGFRBTKITKTP53AKT1
SCHEMBL6794031 0.85 EGFR (0.51) ALDH1A1EGFRBTKITKTP53
SCHEMBL6801055 0.84 EGFR (0.51) ALDH1A1EGFRBTKITKTP53
SCHEMBL6797247 0.84 EGFR (0.53) EGFRBTKITKTP53AKT1
SCHEMBL6804102 0.84 GAA (0.48) ALDH1A1EGFRBTKITKAKT1

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 NR1I2 57/4885ALDH1A1 339/4885EGFR 419/4885

“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.