SCHEMBL558716

SCHEMBL558716

O=C(NCCc1ccccc1)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.49
CSNK2A1 P68400 2/20 0.49
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
TYRO3 Q06418 2/20 0.46
MERTK Q12866 2/20 0.46
AXL P30530 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
PTPN7 P35236 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL2257169 1.00 MAPK8 (0.49) MAPK8CSNK2A1MAPTLMNATP53
SCHEMBL558644 0.90 MAPK8 (0.59) MAPK8CSNK2A1LMNATP53TYRO3
SCHEMBL2255573 0.90 MAPK8 (0.59) MAPK8CSNK2A1LMNATP53TYRO3
SCHEMBL2258872 0.87 CCNE1 (0.47) MAPK8CSNK2A1TYRO3MERTKAXL
SCHEMBL559845 0.87 CCNE1 (0.47) MAPK8CSNK2A1TYRO3MERTKAXL
SCHEMBL558342 0.85 TYRO3 (0.48) MAPK8CSNK2A1MAPTTYRO3MERTK
SCHEMBL2257559 0.85 TYRO3 (0.48) MAPK8CSNK2A1MAPTTYRO3MERTK
SCHEMBL559092 0.83 HPGDS (0.51) MAPK8CSNK2A1MAPK1CCNE1CDK2
SCHEMBL2263303 0.83 HPGDS (0.51) MAPK8CSNK2A1MAPK1CCNE1CDK2
SCHEMBL559953 0.83 MAPK1 (0.49) MAPK8CSNK2A1MAPK1CCNE1CDK2

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-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
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO 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 MAPK8 20/4885CSNK2A1 81/4885MAPT 1800/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK8 20/4885CSNK2A1 81/4885MAPT 1800/4885

“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.