Sugi Predict

Sugi Predict / Compounds / SCHEMBL559858

SCHEMBL559858

SCHEMBL559858

O=C(NCCN1CCNC1=O)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLR1A O95602 1/20 0.45
▸ JUN P05412 2/20 0.44
▸ MAPK10 P53779 2/20 0.44
▸ ENPP2 Q13822 1/20 0.43
▸ PLAT P00750 1/20 0.43
▸ MERTK Q12866 7/20 0.43
▸ CREBBP Q92793 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ TYRO3 Q06418 6/20 0.41
▸ GAS6 Q14393 3/20 0.41
▸ AXL P30530 2/20 0.40
▸ GPR52 Q9Y2T5 1/20 0.40
▸ FLT3 P36888 2/20 0.39

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
SCHEMBL2261720 1.00 KDM4E (0.49) KDM4EALDH1A1LMNAPOLR1AJUN
SCHEMBL559568 0.86 TYRO3 (0.55) MERTKTYRO3AXL
SCHEMBL2257247 0.85 TYRO3 (0.52) MERTKTYRO3AXL
SCHEMBL560369 0.85 TYRO3 (0.52) MERTKTYRO3AXL
SCHEMBL558897 0.84 MERTK (0.60) JUNMAPK10MERTKKMT2ATYRO3
SCHEMBL2255116 0.84 MERTK (0.60) JUNMAPK10MERTKKMT2ATYRO3
SCHEMBL2255468 0.82 MERTK (0.45) JUNMAPK10MERTKTYRO3GAS6
SCHEMBL559471 0.82 MERTK (0.45) JUNMAPK10MERTKTYRO3GAS6
SCHEMBL559344 0.82 MAPK10 (0.52) JUNMAPK10MERTKTYRO3GAS6
SCHEMBL559345 0.82 MAPK10 (0.52) JUNMAPK10MERTKTYRO3GAS6

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 KDM4E 2041/4885ALDH1A1 1098/4885LMNA 3558/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KDM4E 2041/4885ALDH1A1 1098/4885LMNA 3558/4885

“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.