SCHEMBL558660

SCHEMBL558660

O=C(NCc1ccccn1)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.54
TYRO3 Q06418 3/20 0.54
MERTK Q12866 3/20 0.54
GAS6 Q14393 3/20 0.54
NAMPT P43490 1/20 0.51
CSNK2A1 P68400 1/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 2/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
MAPK8 P45983 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2256994 1.00 FLT3 (0.54) FLT3TYRO3MERTKGAS6NAMPT
SCHEMBL558644 0.87 MAPK8 (0.59) FLT3TYRO3MERTKGAS6CSNK2A1
SCHEMBL2255573 0.87 MAPK8 (0.59) FLT3TYRO3MERTKGAS6CSNK2A1
SCHEMBL558885 0.83 SMN1; SMN2 (0.48) FLT3TYRO3MERTKGAS6RAB9A
SCHEMBL2255142 0.83 SMN1; SMN2 (0.48) FLT3TYRO3MERTKGAS6RAB9A
SCHEMBL2258872 0.82 CCNE1 (0.47) TYRO3MERTKGAS6CSNK2A1MAPK8
SCHEMBL559845 0.82 CCNE1 (0.47) TYRO3MERTKGAS6CSNK2A1MAPK8
SCHEMBL2257169 0.82 MAPK8 (0.49) TYRO3MERTKGAS6NAMPTCSNK2A1
SCHEMBL558716 0.82 MAPK8 (0.49) TYRO3MERTKGAS6NAMPTCSNK2A1
SCHEMBL2259321 0.82 MERTK (0.54) FLT3TYRO3MERTKGAS6MAPK8

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 FLT3 1589/4885TYRO3 691/4885MERTK 2882/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 FLT3 1589/4885TYRO3 691/4885MERTK 2882/4885

“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.