Sugi Predict

Sugi Predict / Compounds / SCHEMBL559358

SCHEMBL559358

SCHEMBL559358

O=C(NCc1nc(-c2ccccc2)no1)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.46
▸ TYRO3 Q06418 3/20 0.46
▸ MERTK Q12866 3/20 0.46
▸ GAS6 Q14393 3/20 0.46
▸ JUN P05412 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPT P10636 3/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 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
SCHEMBL2256736 1.00 FLT3 (0.46) FLT3TYRO3MERTKGAS6JUN
SCHEMBL2258503 0.87 JUN (0.49) FLT3TYRO3MERTKGAS6JUN
SCHEMBL559500 0.87 JUN (0.49) FLT3TYRO3MERTKGAS6JUN
SCHEMBL559820 0.85 FLT3 (0.46) FLT3TYRO3MERTKGAS6JUN
SCHEMBL2259696 0.85 FLT3 (0.46) FLT3TYRO3MERTKGAS6JUN
SCHEMBL559452 0.85 MAPK10 (0.45) FLT3TYRO3MERTKGAS6JUN
SCHEMBL2258940 0.85 MAPK10 (0.45) FLT3TYRO3MERTKGAS6JUN
SCHEMBL559270 0.84 TYRO3 (0.54) FLT3TYRO3MERTKGAS6JUN
SCHEMBL2259758 0.84 TYRO3 (0.54) FLT3TYRO3MERTKGAS6JUN
SCHEMBL2256609 0.81 JUN (0.50) FLT3TYRO3MERTKGAS6JUN

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — US 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 (2 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 FLT3 1589/4885TYRO3 691/4885MERTK 2882/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 FLT3 1589/4885TYRO3 691/4885MERTK 2882/4885

“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.