SCHEMBL12424550

SCHEMBL12424550

FC(F)(F)c1cccc(CN2CCC(n3cnc4cnc5c(c43)CCN5)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.41
JAK2 O60674 5/20 0.41
TYK2 P29597 4/20 0.41
JAK3 P52333 4/20 0.41
CTSS P25774 3/20 0.38
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACKR3 P25106 3/20 0.32
DRD2 P14416 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL12385326 0.80 JAK1 (0.67) JAK1JAK2TYK2JAK3
SCHEMBL12425879 0.78 JAK1 (0.47) JAK1JAK2TYK2JAK3DRD2
SCHEMBL12424561 0.70 JAK1 (0.47) JAK1JAK2TYK2JAK3
SCHEMBL12424336 0.70 JAK1 (0.53) JAK1JAK2TYK2JAK3
SCHEMBL12424369 0.70 JAK1 (0.53) JAK1JAK2TYK2JAK3
SCHEMBL12424562 0.70 JAK1 (0.48) JAK1JAK2TYK2JAK3
SCHEMBL12424357 0.68 JAK1 (0.40) JAK1JAK2TYK2JAK3
SCHEMBL12424520 0.67 JAK1 (0.52) JAK1ALDH1A1HPGD
SCHEMBL12424314 0.67 ACHE (0.47) HPGDACKR3DRD2
SCHEMBL12425820 0.67 JAK1 (0.37) JAK1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 JAK1 434/4885JAK2 122/4885TYK2 827/4885

“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.