SCHEMBL520796

SCHEMBL520796

COc1cc(N2CCC(F)(F)CC2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.50
ALDH1A1 P00352 6/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHEK1 O14757 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
WHR1 P49842 2/20 0.40
PDE7A Q13946 1/20 0.40
HTT P42858 3/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
PTK2B Q14289 1/20 0.40
MEN1 O00255 1/20 0.38
S100B P04271 1/20 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
SCHEMBL27920638 0.88 ALDH1A1 (0.43) GAKALDH1A1LMNACYP3A4TDP1
SCHEMBL521292 0.87 ALK (0.45) GAKALDH1A1CHEK1PDE7AKDM4E
SCHEMBL15358736 0.85 ALDH1A1 (0.53) ALDH1A1LMNACYP3A4TDP1TSHR
SCHEMBL27823987 0.83 DRD2 (0.45) ALDH1A1LMNASIRT6WHR1PDE7A
SCHEMBL31403361 0.82 SIRT6 (0.49) ALDH1A1LMNACYP3A4TDP1TSHR
SCHEMBL17410907 0.82 SIRT6 (0.49) ALDH1A1LMNACYP3A4TDP1TSHR
SCHEMBL2974453 0.82 ALDH1A1 (0.59) GAKALDH1A1LMNACYP3A4TDP1
SCHEMBL520465 0.81 LGMN (0.60) ALDH1A1LMNACYP3A4TDP1TSHR
SCHEMBL17411118 0.81 SIRT6 (0.45) GAKALDH1A1LMNACYP3A4TDP1
SCHEMBL28053894 0.81 CHEK1 (0.44) GAKALDH1A1LMNACYP3A4TDP1

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
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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 (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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 GAK 1976/4885ALDH1A1 779/4885LMNA 3783/4885

“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.