SCHEMBL559255

SCHEMBL559255

COc1cccc2cnc(NC3CCCCC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
TYK2 P29597 1/20 0.53
JAK3 P52333 1/20 0.53
TTK P33981 4/20 0.52
CDK2 P24941 2/20 0.48
CDK4 P11802 2/20 0.48
CCND1 P24385 2/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNE1 P24864 1/20 0.48
PDGFRB P09619 3/20 0.48
PDGFRA P16234 3/20 0.48
BCL6 P41182 1/20 0.47
JUN P05412 1/20 0.46
MAPK10 P53779 1/20 0.46
AGER Q15109 1/20 0.46
CCNA2 P20248 1/20 0.46
AXL P30530 1/20 0.44
TYRO3 Q06418 1/20 0.44

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
SCHEMBL559041 0.87 MAPK10 (0.61) JAK2JAK1TYK2JAK3CDK2
SCHEMBL559040 0.87 MAPK10 (0.61) JAK2JAK1TYK2JAK3CDK2
SCHEMBL1633523 0.82 MCHR1 (0.51) JAK2JAK1TYK2JAK3TTK
SCHEMBL12380369 0.81 TTK (0.50) JAK2JAK1TYK2JAK3TTK
SCHEMBL10165882 0.78 TNIK (0.55) JAK2JAK1TYK2JAK3TTK
SCHEMBL10165912 0.78 TNIK (0.55) JAK2JAK1TYK2JAK3TTK
SCHEMBL559462 0.77 MAPK10 (0.65) CDK2CDK4CCND1CDK1PDGFRB
SCHEMBL559461 0.77 MAPK10 (0.65) CDK2CDK4CCND1CDK1PDGFRB
SCHEMBL13313218 0.77 JAK2 (0.59) JAK2JAK1TYK2JAK3CDK2
SCHEMBL560149 0.75 MAPK10 (0.56) CDK1JUNMAPK10AXLTYRO3

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 10 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
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 JAK2 54/4885JAK1 87/4885TYK2 1929/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 JAK2 54/4885JAK1 87/4885TYK2 1929/4885

“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.