SCHEMBL519255

SCHEMBL519255

OCCN1CCN(c2ccc(Nc3ncc4ccc(Br)n4n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.53
INSR P06213 6/20 0.53
JAK2 O60674 7/20 0.49
SYK P43405 2/20 0.48
CYP3A4 P08684 2/20 0.48
STAT6 P42226 1/20 0.47
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CCND2 P30279 1/20 0.45
CCND3 P30281 1/20 0.45
WEE1 P30291 1/20 0.44
EGFR P00533 1/20 0.43
FGFR2 P21802 1/20 0.42
FGFR1 P11362 1/20 0.42

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
SCHEMBL519959 0.85 ALK (0.69) ALKINSRJAK2CYP3A4EGFR
SCHEMBL519923 0.82 INSR (0.69) ALKINSRJAK2SYKCYP3A4
SCHEMBL519146 0.81 ALK (0.64) ALKINSRJAK2SYKCYP3A4
SCHEMBL522001 0.81 ALK (0.61) ALKINSRJAK2SYKCYP3A4
SCHEMBL522206 0.79 ALK (0.61) ALKINSRJAK2CYP3A4WEE1
SCHEMBL521359 0.79 JAK2 (0.80) ALKINSRJAK2CYP3A4
SCHEMBL518595 0.79 JAK2 (0.60) ALKINSRJAK2CYP3A4
SCHEMBL15048587 0.76 JAK2 (0.66) ALKINSRJAK2CYP3A4
SCHEMBL521373 0.75 JAK2 (0.62) ALKINSRJAK2CYP3A4CDK4
SCHEMBL519643 0.75 BACE1 (0.53) ALKINSRJAK2

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 ALK 2/4885INSR 1738/4885JAK2 1/4885

“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.