SCHEMBL520503

SCHEMBL520503

CSc1ncc2ccc(-c3ccccc3C(C)=O)n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.42
ALK Q9UM73 2/20 0.42
CYP17A1 P05093 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
PKM P14618 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
KDM4E B2RXH2 2/20 0.36
JAK2 O60674 6/20 0.36
PTK2 Q05397 3/20 0.36
KDM4C Q9H3R0 1/20 0.35
NPM1 P06748 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DAPK3 O43293 1/20 0.33

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
SCHEMBL519998 0.82 ABCG2 (0.40) INSRALKNPC1KDM4EJAK2
SCHEMBL519978 0.82 MAPK1 (0.44) INSRALKKDM4EJAK2PTK2
SCHEMBL520259 0.79 EGLN2 (0.40) INSRALKKDM4EJAK2NPM1
SCHEMBL521590 0.79 EGLN2 (0.40) INSRALKKDM4EJAK2PTK2
SCHEMBL521486 0.79 JAK2 (0.39) INSRALKRAB9AKDM4EJAK2
SCHEMBL521369 0.78 ALK (0.41) INSRALKCYP17A1NPC1RAB9A
SCHEMBL520446 0.78 JAK2 (0.57) INSRALKJAK2PTK2NPM1
SCHEMBL522645 0.77 JAK2 (0.45) INSRALKJAK2NPM1
SCHEMBL521115 0.76 ALK (0.41) INSRALKKDM4EJAK2PTK2
SCHEMBL521852 0.76 AURKA (0.42) KDM4EJAK2ALDH1A1HPGDSMN1; SMN2

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 INSR 1738/4885ALK 2/4885CYP17A1 2619/4885

“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.