Sugi Predict

Sugi Predict / Compounds / SCHEMBL559374

SCHEMBL559374

SCHEMBL559374

O=C(N[C@H]1CC[C@H](CO)CC1)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 2/20 0.50
▸ JUN P05412 1/20 0.50
▸ TYRO3 Q06418 14/20 0.46
▸ MERTK Q12866 14/20 0.46
▸ FLT3 P36888 13/20 0.46
▸ GAS6 Q14393 13/20 0.46
▸ AXL P30530 6/20 0.44
▸ MAPK8 P45983 4/20 0.43
▸ MAPK9 P45984 3/20 0.43
▸ ADRA2A P08913 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ MCHR1 Q99705 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
SCHEMBL2259519 1.00 MAPK10 (0.50) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL560270 1.00 MAPK10 (0.50) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL2256524 0.93 MAPK10 (0.56) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL2256528 0.93 MAPK10 (0.56) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL2261007 0.89 MAPK10 (0.53) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL558808 0.89 MAPK10 (0.53) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL2256985 0.87 TYRO3 (0.54) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL560142 0.87 TYRO3 (0.54) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL559344 0.85 MAPK10 (0.52) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL559345 0.85 MAPK10 (0.52) MAPK10JUNTYRO3MERTKFLT3

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 MAPK10 32/4885JUN 36/4885TYRO3 691/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885TYRO3 691/4885

“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.