SCHEMBL559884

SCHEMBL559884

NC1CCC(Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 3/20 0.45
CDK9 P50750 3/20 0.45
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
TNIK Q9UKE5 1/20 0.42
MAPK10 P53779 2/20 0.41
JUN P05412 1/20 0.41
TTK P33981 1/20 0.41
MAPK8 P45983 2/20 0.39
MAPK14 Q16539 4/20 0.39
MCHR1 Q99705 2/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL559883 1.00 CDK7 (0.45) CDK7CDK9JAK2JAK1TYK2
SCHEMBL559282 0.94 CDK7 (0.44) CDK7CDK9JAK2JAK1TYK2
SCHEMBL559281 0.94 CDK7 (0.44) CDK7CDK9JAK2JAK1TYK2
SCHEMBL558086 0.92 JAK2 (0.47) JAK2JAK1TYK2JAK3TNIK
SCHEMBL2256643 0.89 TNIK (0.53) JAK2JAK1TYK2JAK3TNIK
SCHEMBL2256639 0.89 TNIK (0.53) JAK2JAK1TYK2JAK3TNIK
SCHEMBL12380369 0.89 TTK (0.50) CDK7CDK9JAK2JAK1TYK2
SCHEMBL558775 0.87 JAK2 (0.43) JAK2JAK1TYK2JAK3TNIK
SCHEMBL558923 0.86 JAK2 (0.44) JAK2JAK1TYK2JAK3TNIK
SCHEMBL558925 0.86 JAK2 (0.44) JAK2JAK1TYK2JAK3TNIK

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 5 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-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
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP 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 CDK7 660/4885CDK9 1141/4885JAK2 54/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK7 660/4885CDK9 1141/4885JAK2 54/4885

“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.