SCHEMBL558342

SCHEMBL558342

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 4/20 0.48
MERTK Q12866 4/20 0.48
GAS6 Q14393 2/20 0.48
CCNE1 P24864 6/20 0.46
CDK2 P24941 6/20 0.46
MAPK1 P28482 2/20 0.46
AXL P30530 2/20 0.46
MAPK14 Q16539 1/20 0.44
MAPK8 P45983 3/20 0.43
MAPK10 P53779 2/20 0.43
MAPK9 P45984 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
CASP6 P55212 1/20 0.41
KMT2A Q03164 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
SCHEMBL2257559 1.00 TYRO3 (0.48) TYRO3MERTKGAS6CCNE1CDK2
SCHEMBL2258872 0.94 CCNE1 (0.47) TYRO3MERTKGAS6CCNE1CDK2
SCHEMBL559845 0.94 CCNE1 (0.47) TYRO3MERTKGAS6CCNE1CDK2
SCHEMBL2263303 0.86 HPGDS (0.51) CCNE1CDK2MAPK1MAPK14MAPK8
SCHEMBL559092 0.86 HPGDS (0.51) CCNE1CDK2MAPK1MAPK14MAPK8
SCHEMBL558716 0.85 MAPK8 (0.49) TYRO3MERTKGAS6CCNE1CDK2
SCHEMBL2257169 0.85 MAPK8 (0.49) TYRO3MERTKGAS6CCNE1CDK2
SCHEMBL559996 0.85 CDK2 (0.50) CCNE1CDK2MAPK1CDK7CCNH
SCHEMBL559349 0.85 CDK2 (0.50) CCNE1CDK2MAPK1CDK7CCNH
SCHEMBL558981 0.84 CDK2 (0.49) CCNE1CDK2MAPK1CDK7CCNH

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 TYRO3 691/4885MERTK 2882/4885GAS6 2254/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 TYRO3 691/4885MERTK 2882/4885GAS6 2254/4885

“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.