SCHEMBL520411

SCHEMBL520411

COc1cc(N2CCCN(C[C@H](O)CO)CC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
MAPT P10636 8/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR7 P34969 1/20 0.41
CACNA1G O43497 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL520282 0.95 ADRA2A (0.53) ADRA2AADRA2BADRA2CMAPTMEN1
SCHEMBL520934 0.95 ADRA2A (0.53) ADRA2AADRA2BADRA2CMAPTMEN1
SCHEMBL520281 0.95 ADRA2A (0.53) ADRA2AADRA2BADRA2CMAPTMEN1
SCHEMBL2483883 0.90 INSR (0.45) MAPTMEN1KMT2AATMTP53
SCHEMBL520419 0.90 INSR (0.45) MAPTMEN1KMT2AATMTP53
SCHEMBL519652 0.84 INSR (0.48) MAPTMEN1KMT2AATMTP53
SCHEMBL519957 0.84 INSR (0.48) MAPTMEN1KMT2AATMTP53
SCHEMBL519653 0.84 INSR (0.48) MAPTMEN1KMT2AATMTP53
SCHEMBL14180538 0.83 TLR9 (0.48) ALDH1A1HTR7
SCHEMBL2207628 0.80 GAA (0.47) MAPTMEN1KMT2AATMALDH1A1

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 ADRA2A 3854/4885ADRA2B 3701/4885ADRA2C 3907/4885

“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.