SCHEMBL558347

SCHEMBL558347

c1ccc2nc(NC3CCCCC3)ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.52
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
CDK2 P24941 4/20 0.49
MAPK8 P45983 2/20 0.49
MAPK9 P45984 2/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
CCNE1 P24864 1/20 0.49
PAK1 Q13153 1/20 0.49
MAPK10 P53779 2/20 0.47
MAPK14 Q16539 1/20 0.47
AXL P30530 1/20 0.47
FLT3 P36888 1/20 0.47
TYRO3 Q06418 1/20 0.47
MERTK Q12866 1/20 0.47
GAS6 Q14393 1/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
CCND2 P30279 1/20 0.47

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
SCHEMBL16666131 0.98 NPY5R (0.50) NPY5RKDM4EGAACDK2MAPK8
SCHEMBL558138 0.84 MAPK8 (0.56) CDK2MAPK8MAPK9MKNK1MKNK2
SCHEMBL558139 0.84 MAPK8 (0.56) CDK2MAPK8MAPK9MKNK1MKNK2
SCHEMBL28282290 0.83 CCNA2 (0.46) NPY5RCDK2MKNK1MKNK2CCNK
SCHEMBL23003174 0.83 CCNK (0.53) CDK2CCNE1MAPK10CCNKCDK12
SCHEMBL23003172 0.83 CCNK (0.53) CDK2CCNE1MAPK10CCNKCDK12
Hydrochloric Acid SCHEMBL23003045 0.82 CCNK (0.52) CDK2CCNE1MAPK10CCNKCDK12
Hydrochloric Acid SCHEMBL23003047 0.82 CCNK (0.52) CDK2CCNE1MAPK10CCNKCDK12
SCHEMBL8487675 0.81 CCNA2 (0.43) NPY5RCDK2MKNK1MKNK2CCNK
SCHEMBL8487669 0.81 CCNA2 (0.43) NPY5RCDK2MKNK1MKNK2CCNK

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102068434-B Application of 4-(cyclohexyl)-aminoquinazoline compounds ZHIHUA LIN 2012-08-22 CN disclosed
CN-102491949-A Method for synthesizing 2-(N-alkyl) aminopyrimidine derivatives by means of N-alkylation UNIV NANJING SCIENCE & TECH 2012-06-13 CN 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-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
CN-102068434-A Application of 4-(cyclohexyl)-aminoquinazoline compounds ZHIHUA LIN 2011-05-25 CN 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 NPY5R 130/4885KDM4E 2041/4885GAA 2711/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 NPY5R 130/4885KDM4E 2041/4885GAA 2711/4885

“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.