SCHEMBL519982

SCHEMBL519982

c1cncc(-c2ccc3cnc(Nc4cc[nH]n4)nn23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.47
INSR P06213 5/20 0.47
ALK Q9UM73 4/20 0.47
PTK2 Q05397 1/20 0.47
EGFR P00533 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.36
DYRK3 O43781 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDK5R1 Q15078 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
FYN P06241 2/20 0.34

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
SCHEMBL519736 0.76 JAK2 (0.66) JAK2INSRALKPTK2CYP3A4
SCHEMBL520114 0.73 JAK2 (0.66) JAK2INSRALKPTK2EGFR
SCHEMBL519702 0.72 INSR (0.82) JAK2INSRALKPTK2CYP3A4
SCHEMBL520955 0.71 INSR (0.52) JAK2INSRALKEGFRCYP3A4
SCHEMBL519994 0.71 ALK (0.83) JAK2INSRALKCYP3A4FYN
SCHEMBL19221988 0.71 DYRK3 (0.47) SMN1; SMN2KDM4EALDH1A1CYP3A4DYRK3
SCHEMBL519588 0.71 INSR (0.49) JAK2INSRALKPTK2KDM4E
SCHEMBL519442 0.70 JAK2 (0.58) JAK2INSRALKPTK2
SCHEMBL521674 0.70 INSR (0.59) JAK2INSRALKPTK2
SCHEMBL520470 0.69 INSR (0.58) JAK2INSRALKPTK2CYP3A4

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 10 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
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 JAK2 1/4885INSR 1738/4885ALK 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.