SCHEMBL559012

SCHEMBL559012

O=C(NCc1ccc(F)cc1)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 6/20 0.54
TYRO3 Q06418 4/20 0.54
AXL P30530 1/20 0.54
MAPK8 P45983 2/20 0.49
CTNNB1 P35222 3/20 0.47
TCF7L2 Q9NQB0 3/20 0.47
CDK2 P24941 2/20 0.46
CCNE1 P24864 1/20 0.46
MAPK1 P28482 1/20 0.46
GAS6 Q14393 3/20 0.45
HDAC8 Q9BY41 1/20 0.44
FLT3 P36888 2/20 0.44
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
ADRA2A P08913 1/20 0.43

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
SCHEMBL2259321 1.00 MERTK (0.54) MERTKTYRO3AXLMAPK8CTNNB1
SCHEMBL558644 0.90 MAPK8 (0.59) MERTKTYRO3MAPK8CDK2CCNE1
SCHEMBL2255573 0.90 MAPK8 (0.59) MERTKTYRO3MAPK8CDK2CCNE1
SCHEMBL2257637 0.87 TYRO3 (0.47) MERTKTYRO3AXLMAPK8CDK2
SCHEMBL558704 0.87 TYRO3 (0.47) MERTKTYRO3AXLMAPK8CDK2
SCHEMBL12361573 0.86 MCHR1 (0.46) MERTKTYRO3AXLCDK2CCNE1
SCHEMBL559534 0.85 CDK2 (0.44) MERTKTYRO3AXLMAPK8CDK2
SCHEMBL2259099 0.85 CDK2 (0.44) MERTKTYRO3AXLMAPK8CDK2
SCHEMBL559975 0.83 MAPK1 (0.46) MAPK8CDK2CCNE1MAPK1FLT3
SCHEMBL2258872 0.83 CCNE1 (0.47) MERTKTYRO3AXLMAPK8CDK2

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 MERTK 2882/4885TYRO3 691/4885AXL 3638/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MERTK 2882/4885TYRO3 691/4885AXL 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.