SCHEMBL559234

SCHEMBL559234

O[C@H]1CC[C@H](Nc2ncc3ccc(OCCN4CCOCC4)cc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
MAPK8 P45983 2/20 0.43
MERTK Q12866 2/20 0.42
NPC1 O15118 2/20 0.42
TYRO3 Q06418 1/20 0.42
GAS6 Q14393 1/20 0.42
RAB9A P51151 1/20 0.42
EGFR P00533 1/20 0.41
ITK Q08881 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPK1 P28482 2/20 0.41
JAK1 P23458 1/20 0.41
MIF P14174 1/20 0.41
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 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
SCHEMBL559235 1.00 SYK (0.46) SYKKDM4EALDH1A1FGFR1SRC
SCHEMBL559774 0.84 MAPK1 (0.45) MAPK8MERTKTYRO3GAS6MAPK10
SCHEMBL559773 0.84 MAPK1 (0.45) MAPK8MERTKTYRO3GAS6MAPK10
SCHEMBL10166347 0.84 MAPK1 (0.45) MAPK8MERTKTYRO3GAS6MAPK10
SCHEMBL558520 0.83 PDK2 (0.43) MAPK8MERTKTYRO3EGFRMAPK10
SCHEMBL558519 0.83 PDK2 (0.43) MAPK8MERTKTYRO3EGFRMAPK10
SCHEMBL558702 0.82 MAPK8 (0.44) MAPK8MERTKTYRO3GAS6EGFR
SCHEMBL558703 0.82 MAPK8 (0.44) MAPK8MERTKTYRO3GAS6EGFR
SCHEMBL559323 0.81 MAPK8 (0.46) MAPK8MERTKTYRO3GAS6EGFR
SCHEMBL559324 0.81 MAPK8 (0.46) MAPK8MERTKTYRO3GAS6EGFR

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 8 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

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 SYK 1052/4885KDM4E 2041/4885ALDH1A1 1098/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 SYK 1052/4885KDM4E 2041/4885ALDH1A1 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.