SCHEMBL559338

SCHEMBL559338

O=C(NCCN1CCCC1=O)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
TYRO3 Q06418 10/20 0.49
CCNE1 P24864 3/20 0.45
CDK2 P24941 3/20 0.45
NAMPT P43490 1/20 0.44
CASK O14936 4/20 0.44
MERTK Q12866 2/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
NTRK1 P04629 1/20 0.44
MET P08581 1/20 0.44
SELP P16109 1/20 0.44
AXL P30530 1/20 0.44
KDR P35968 1/20 0.44
CDK7 P50613 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL2258873 1.00 MAPK1 (0.49) MAPK1TSHRTYRO3CCNE1CDK2
SCHEMBL2256441 0.97 MAPK1 (0.47) MAPK1TSHRTYRO3CCNE1CDK2
SCHEMBL559496 0.82 MERTK (0.55) MAPK1TYRO3CCNE1CDK2MERTK
SCHEMBL2257237 0.82 MERTK (0.55) MAPK1TYRO3CCNE1CDK2MERTK
SCHEMBL559845 0.82 CCNE1 (0.47) MAPK1TYRO3CCNE1CDK2MERTK
SCHEMBL2258872 0.82 CCNE1 (0.47) MAPK1TYRO3CCNE1CDK2MERTK
SCHEMBL559568 0.81 TYRO3 (0.55) TYRO3MERTKMETSELPAXL
SCHEMBL2257559 0.81 TYRO3 (0.48) MAPK1TYRO3CCNE1CDK2MERTK
SCHEMBL558342 0.81 TYRO3 (0.48) MAPK1TYRO3CCNE1CDK2MERTK
SCHEMBL559092 0.79 HPGDS (0.51) MAPK1CCNE1CDK2

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 1/4885TSHR 1704/4885TYRO3 691/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885TSHR 1704/4885TYRO3 691/4885

“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.