SCHEMBL521813

SCHEMBL521813

Cc1nc(-c2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nn23)cn1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 8/20 0.66
JAK2 O60674 8/20 0.62
ALK Q9UM73 7/20 0.56
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
CDK2 P24941 4/20 0.47
SYK P43405 2/20 0.46
KCNH2 Q12809 1/20 0.46
IGF1R P08069 1/20 0.46
AURKA O14965 2/20 0.46
CDK4 P11802 2/20 0.46
AURKB Q96GD4 2/20 0.46
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
CIT O14578 1/20 0.46
CHEK1 O14757 1/20 0.46
GAK O14976 1/20 0.46
EPHB6 O15197 1/20 0.46

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
SCHEMBL521278 0.91 ALK (0.68) INSRJAK2ALKCYP3A4NPM1
SCHEMBL521763 0.85 INSR (0.69) INSRJAK2ALKCYP3A4TP53
SCHEMBL519785 0.82 INSR (0.74) INSRJAK2ALKCYP3A4TTK
SCHEMBL520176 0.79 INSR (1.00) INSRJAK2ALKCYP3A4IGF1R
SCHEMBL521762 0.79 JAK2 (0.68) INSRJAK2ALKCYP3A4TP53
SCHEMBL519278 0.79 INSR (0.82) INSRJAK2ALKCYP3A4SYK
SCHEMBL521023 0.77 INSR (0.69) INSRJAK2ALKCYP3A4TP53
SCHEMBL519702 0.77 INSR (0.82) INSRJAK2ALKCYP3A4AURKA
SCHEMBL521250 0.77 ALK (0.71) INSRJAK2ALKCYP3A4NPM1
SCHEMBL519923 0.77 INSR (0.69) INSRJAK2ALKCYP3A4TP53

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 9 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 claimed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US claimed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US claimed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP claimed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO claimed
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
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 1738/4885JAK2 1/4885ALK 2/4885

“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.