SCHEMBL2261780

SCHEMBL2261780

CC(=O)N1CCC(NC(=O)c2cccc3cnc(NC4CCC(O)CC4)nc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.52
JAK1 P23458 3/20 0.52
TYK2 P29597 3/20 0.52
JAK3 P52333 3/20 0.52
CDK1 P06493 2/20 0.51
CDK4 P11802 2/20 0.51
CCND1 P24385 2/20 0.51
CDK2 P24941 2/20 0.51
JUN P05412 2/20 0.50
MAPK10 P53779 2/20 0.50
MAPK8 P45983 1/20 0.46
FLT3 P36888 10/20 0.46
TYRO3 Q06418 10/20 0.46
MERTK Q12866 10/20 0.46
GAS6 Q14393 10/20 0.46
AXL P30530 3/20 0.45
HSD11B1 P28845 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
SCHEMBL558814 1.00 JAK2 (0.52) JAK2JAK1TYK2JAK3CDK1
SCHEMBL2256391 0.91 JUN (0.48) JAK2JAK1TYK2JAK3CDK1
SCHEMBL559378 0.91 JUN (0.48) JAK2JAK1TYK2JAK3CDK1
SCHEMBL2256528 0.90 MAPK10 (0.56) JUNMAPK10MAPK8FLT3TYRO3
SCHEMBL2256524 0.90 MAPK10 (0.56) JUNMAPK10MAPK8FLT3TYRO3
SCHEMBL559200 0.87 FLT3 (0.60) JAK2JAK1TYK2JAK3CDK1
SCHEMBL2255229 0.87 FLT3 (0.60) JAK2JAK1TYK2JAK3CDK1
SCHEMBL2261007 0.87 MAPK10 (0.53) JUNMAPK10MAPK8FLT3TYRO3
SCHEMBL558808 0.87 MAPK10 (0.53) JUNMAPK10MAPK8FLT3TYRO3
SCHEMBL10166789 0.86 JUN (0.46) JAK2JAK1TYK2JAK3CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.