SCHEMBL559541

SCHEMBL559541

CN(C)c1ncccc1NC(=O)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.46
ADRA2A P08913 8/20 0.46
HRH1 P35367 6/20 0.46
HTR2B P41595 6/20 0.46
ADRA1A P35348 4/20 0.46
LCK P06239 1/20 0.45
KDR P35968 1/20 0.45
JAK3 P52333 1/20 0.45
MAPK14 Q16539 1/20 0.45
CDK2 P24941 3/20 0.43
CCNE1 P24864 2/20 0.43
BRAF P15056 1/20 0.42
HTR1A P08908 1/20 0.42
NPY5R Q15761 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CDK7 P50613 3/20 0.41
CCNH P51946 3/20 0.41
MNAT1 P51948 3/20 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
SCHEMBL2260474 1.00 MCHR1 (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL559367 0.86 SYK (0.46) LCKKDRJAK3MAPK14CDK2
SCHEMBL558885 0.81 SMN1; SMN2 (0.48) CDK2CCNE1CSNK2A2CSNK2BMAPK8
SCHEMBL2255142 0.81 SMN1; SMN2 (0.48) CDK2CCNE1CSNK2A2CSNK2BMAPK8
SCHEMBL2258095 0.81 MAPK10 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL558450 0.81 MAPK10 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL560325 0.80 CDK7 (0.55) CDK2CCNE1BRAFCSNK2A1CDK7
SCHEMBL560324 0.80 CDK7 (0.55) CDK2CCNE1BRAFCSNK2A1CDK7
SCHEMBL559021 0.79 BRAF (0.59) CDK2CCNE1BRAFCSNK2A2CSNK2B
SCHEMBL2258151 0.79 BRAF (0.59) CDK2CCNE1BRAFCSNK2A2CSNK2B

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 MCHR1 1552/4885ADRA2A 273/4885HRH1 989/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MCHR1 1552/4885ADRA2A 273/4885HRH1 989/4885

“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.