SCHEMBL6796480

SCHEMBL6796480

O=C(Cc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1)Nc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CLK1 P49759 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
HDAC3 O15379 2/20 0.45
AKT1 P31749 2/20 0.44
ALDH1A1 P00352 1/20 0.43
PARP1 P09874 1/20 0.43
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 1/20 0.42
CYP2C9 P11712 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
SCHEMBL6791857 0.87 EGFR (0.47) TP53MAPTKDM4EPOLBLMNA
SCHEMBL6797838 0.85 NR1I2 (0.49) TP53MAPTKDM4EPOLBLMNA
SCHEMBL6797670 0.85 MEN1 (0.49) MAPTPOLBLMNAAKT1ALDH1A1
SCHEMBL6804102 0.84 GAA (0.48) MAPTKDM4ELMNAAKT1ALDH1A1
SCHEMBL6798445 0.83 EGFR (0.47) TP53MAPTPOLBAKT1ALDH1A1
SCHEMBL6797280 0.82 TRPV1 (0.47) TP53MAPTKDM4ECLK1POLB
SCHEMBL6798999 0.82 EGFR (0.47) TP53MAPTKDM4EPOLBAKT1
SCHEMBL6799787 0.80 ALDH1A1 (0.53) AKT1ALDH1A1CYP2C9
SCHEMBL6798463 0.80 ALDH1A1 (0.45) MAPTAKT1ALDH1A1CYP2C9
SCHEMBL6794031 0.80 EGFR (0.51) TP53MAPTPOLBAKT1ALDH1A1

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 TP53 3947/4885MAPT 4677/4885KDM4E 2663/4885

“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.