Sugi Predict

Sugi Predict / Compounds / SCHEMBL559845

SCHEMBL559845

SCHEMBL559845

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 6/20 0.47
▸ CDK2 P24941 6/20 0.47
▸ MAPK1 P28482 4/20 0.47
▸ MAPK8 P45983 4/20 0.45
▸ MAPK10 P53779 2/20 0.45
▸ CSNK2A1 P68400 2/20 0.44
▸ TYRO3 Q06418 2/20 0.43
▸ MERTK Q12866 2/20 0.43
▸ GAS6 Q14393 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ AXL P30530 1/20 0.42
▸ CDK7 P50613 2/20 0.42
▸ CCNH P51946 2/20 0.42
▸ MNAT1 P51948 2/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42

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
SCHEMBL2258872 1.00 CCNE1 (0.47) CCNE1CDK2MAPK1MAPK8MAPK10
SCHEMBL2257559 0.94 TYRO3 (0.48) CCNE1CDK2MAPK1MAPK8MAPK10
SCHEMBL558342 0.94 TYRO3 (0.48) CCNE1CDK2MAPK1MAPK8MAPK10
SCHEMBL559349 0.91 CDK2 (0.50) CCNE1CDK2MAPK1CSNK2A1CDK7
SCHEMBL559996 0.91 CDK2 (0.50) CCNE1CDK2MAPK1CSNK2A1CDK7
SCHEMBL558981 0.90 CDK2 (0.49) CCNE1CDK2MAPK1CSNK2A1CDK7
SCHEMBL559092 0.88 HPGDS (0.51) CCNE1CDK2MAPK1MAPK8MAPK10
SCHEMBL2263303 0.88 HPGDS (0.51) CCNE1CDK2MAPK1MAPK8MAPK10
SCHEMBL2257169 0.87 MAPK8 (0.49) CCNE1CDK2MAPK1MAPK8CSNK2A1
SCHEMBL558716 0.87 MAPK8 (0.49) CCNE1CDK2MAPK1MAPK8CSNK2A1

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 CCNE1 523/4885CDK2 125/4885MAPK1 1/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CCNE1 523/4885CDK2 125/4885MAPK1 1/4885

“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.