SCHEMBL6793593

SCHEMBL6793593

CC(=O)Nc1cccc(Nc2ncccc2N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.57
ALDH1A1 P00352 5/20 0.56
KIT P10721 1/20 0.53
FLT3 P36888 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
EGFR P00533 2/20 0.49
MAP3K5 Q99683 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
GRM4 Q14833 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.47
NR4A1 P22736 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6800292 0.93 ABCG2 (0.55) ABCG2ALDH1A1KITFLT3MEN1
SCHEMBL6795494 0.87 SYK (0.54) ABCG2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6797018 0.86 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL8449920 0.85 EGFR (0.54) MEN1KMT2AEGFRLMNAPOLB
SCHEMBL6791845 0.83 KCNK3 (0.61) ALDH1A1MEN1KMT2AMAPTEGFR
SCHEMBL6796184 0.82 HDAC1 (0.44) ABCG2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7361323 0.81 ABCG2 (0.42) ABCG2ALDH1A1KITFLT3MEN1
SCHEMBL7361328 0.81 ABCG2 (0.42) ABCG2ALDH1A1KITFLT3MEN1
SCHEMBL6803502 0.81 HDAC1 (0.50) ALDH1A1MEN1KMT2AMAPTEGFR
SCHEMBL9390990 0.80 KMT2A (0.46) ALDH1A1MEN1KMT2AKDM4EMAPT

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 10 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
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN 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
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN 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 ABCG2 44/4885ALDH1A1 339/4885KIT 3731/4885

“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.