Sugi Predict

Sugi Predict / Compounds / SCHEMBL558652

SCHEMBL558652

SCHEMBL558652

Cc1cc(CNC(=O)c2cccc3cnc(N[C@H]4CC[C@H](O)CC4)nc23)nn1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 2/20 0.48
▸ MAPK10 P53779 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ TYRO3 Q06418 13/20 0.43
▸ MERTK Q12866 13/20 0.43
▸ GAS6 Q14393 13/20 0.43
▸ FLT3 P36888 12/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2259299 1.00 JUN (0.48) JUNMAPK10ALDH1A1HTTTYRO3
SCHEMBL2256894 0.85 JUN (0.54) JUNMAPK10TYRO3MERTKGAS6
SCHEMBL559165 0.85 JUN (0.54) JUNMAPK10TYRO3MERTKGAS6
SCHEMBL558556 0.85 JUN (0.54) JUNMAPK10TYRO3MERTKGAS6
SCHEMBL559879 0.82 TYRO3 (0.59) JUNMAPK10ALDH1A1HTTTYRO3
SCHEMBL2255851 0.82 TYRO3 (0.59) JUNMAPK10ALDH1A1HTTTYRO3
SCHEMBL559607 0.81 JUN (0.47) JUNMAPK10ALDH1A1TYRO3MERTK
SCHEMBL559606 0.81 JUN (0.47) JUNMAPK10ALDH1A1TYRO3MERTK
SCHEMBL2257508 0.81 MAPK10 (0.55) JUNMAPK10TYRO3MERTKGAS6
SCHEMBL558604 0.81 MAPK10 (0.55) JUNMAPK10TYRO3MERTKGAS6

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 JUN 36/4885MAPK10 32/4885ALDH1A1 1098/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 JUN 36/4885MAPK10 32/4885ALDH1A1 1098/4885

“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.