Sugi Predict

Sugi Predict / Compounds / SCHEMBL559301

SCHEMBL559301

SCHEMBL559301

O=C(NCCc1ccccn1)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYRO3 Q06418 9/20 0.51
▸ MERTK Q12866 9/20 0.51
▸ GAS6 Q14393 6/20 0.51
▸ FLT3 P36888 5/20 0.51
▸ MAPK10 P53779 2/20 0.46
▸ JUN P05412 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ AXL P30530 4/20 0.42
▸ MAPK8 P45983 2/20 0.42
▸ MAPK9 P45984 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ POLR1A O95602 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 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
SCHEMBL2255948 1.00 TYRO3 (0.51) TYRO3MERTKGAS6FLT3MAPK10
SCHEMBL2255851 0.91 TYRO3 (0.59) TYRO3MERTKGAS6FLT3MAPK10
SCHEMBL559879 0.91 TYRO3 (0.59) TYRO3MERTKGAS6FLT3MAPK10
SCHEMBL559344 0.85 MAPK10 (0.52) TYRO3MERTKGAS6FLT3MAPK10
SCHEMBL559345 0.85 MAPK10 (0.52) TYRO3MERTKGAS6FLT3MAPK10
SCHEMBL2257909 0.85 MAPK10 (0.41) TYRO3MERTKGAS6FLT3MAPK10
SCHEMBL559959 0.85 MAPK10 (0.41) TYRO3MERTKGAS6FLT3MAPK10
SCHEMBL2256601 0.84 JUN (0.53) TYRO3MERTKGAS6FLT3MAPK10
SCHEMBL559186 0.84 JUN (0.53) TYRO3MERTKGAS6FLT3MAPK10
SCHEMBL2258134 0.84 HSD17B10 (0.54) TYRO3MERTKGAS6FLT3MAPK10

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 TYRO3 691/4885MERTK 2882/4885GAS6 2254/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 TYRO3 691/4885MERTK 2882/4885GAS6 2254/4885

“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.