SCHEMBL558768

SCHEMBL558768

O=C(Nc1cccnc1N1CCOCC1)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.48
▸ MERTK Q12866 11/20 0.47
▸ AXL P30530 7/20 0.47
▸ TYRO3 Q06418 5/20 0.47
▸ KIF18A Q8NI77 1/20 0.46
▸ JUN P05412 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ FLT3 P36888 1/20 0.43
▸ GAS6 Q14393 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ SYK P43405 1/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ TTK P33981 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
SCHEMBL2259324 1.00 MAPK1 (0.48) MAPK1MERTKAXLTYRO3KIF18A
SCHEMBL2256583 0.82 RAB9A (0.55) MERTKAXLTYRO3FLT3GAS6
SCHEMBL559814 0.82 RAB9A (0.55) MERTKAXLTYRO3FLT3GAS6
SCHEMBL2257915 0.80 SYK (0.52) MERTKAXLTYRO3JUNMAPK10
SCHEMBL559375 0.80 SYK (0.52) MERTKAXLTYRO3JUNMAPK10
SCHEMBL558450 0.80 MAPK10 (0.50) MERTKAXLTYRO3JUNMAPK10
SCHEMBL2258095 0.80 MAPK10 (0.50) MERTKAXLTYRO3JUNMAPK10
SCHEMBL2258647 0.79 MAPK10 (0.50) MERTKAXLTYRO3JUNMAPK10
SCHEMBL559027 0.79 MAPK10 (0.50) MERTKAXLTYRO3JUNMAPK10
SCHEMBL2256985 0.78 TYRO3 (0.54) MAPK1MERTKAXLTYRO3JUN

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 MAPK1 1/4885MERTK 2882/4885AXL 3638/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885MERTK 2882/4885AXL 3638/4885

“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.

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