SCHEMBL10166429

SCHEMBL10166429

O=C(NC1CCOC1)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.53
MAPK1 P28482 17/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
HPGDS O60760 1/20 0.50
MAPK14 Q16539 1/20 0.49

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
SCHEMBL2257526 1.00 BRAF (0.53) BRAFMAPK1CCNE1CDK2HPGDS
SCHEMBL558964 1.00 BRAF (0.53) BRAFMAPK1CCNE1CDK2HPGDS
SCHEMBL10166436 0.94 BRAF (0.47) BRAFMAPK1CCNE1CDK2HPGDS
SCHEMBL558916 0.94 BRAF (0.47) BRAFMAPK1CCNE1CDK2HPGDS
SCHEMBL2257618 0.94 BRAF (0.47) BRAFMAPK1CCNE1CDK2HPGDS
SCHEMBL559092 0.90 HPGDS (0.51) MAPK1CCNE1CDK2HPGDSMAPK14
SCHEMBL2263303 0.90 HPGDS (0.51) MAPK1CCNE1CDK2HPGDSMAPK14
SCHEMBL2257725 0.85 MAPK1 (0.45) MAPK1CCNE1CDK2
SCHEMBL559178 0.85 MAPK1 (0.45) MAPK1CCNE1CDK2
SCHEMBL559398 0.83 MCHR1 (0.46) MAPK1CCNE1CDK2HPGDSMAPK14

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 6 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-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 BRAF 142/4885MAPK1 1/4885CCNE1 523/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 BRAF 142/4885MAPK1 1/4885CCNE1 523/4885

“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.