SCHEMBL520647

SCHEMBL520647

CCN1CCN(C(=O)c2ccc(Nc3ncc4c(-c5ccc(F)cc5)ccn4n3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.45
ACVR1 Q04771 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
DYRK2 Q92630 3/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
CCND1 P24385 4/20 0.42
CDK6 Q00534 4/20 0.42
TTK P33981 1/20 0.42
NTRK1 P04629 1/20 0.42
GRM5 P41594 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
JAK1 P23458 1/20 0.40
CDK4 P11802 1/20 0.40
CCND3 P30281 1/20 0.40

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
SCHEMBL520349 0.84 JAK2 (0.54) CCND1CDK6JAK1
SCHEMBL520244 0.74 CDK4 (0.53) JAK1CDK4
SCHEMBL521466 0.72 BTK (0.43) ACVR1CDK4
SCHEMBL14021558 0.67 JAK2 (0.50) DYRK2CCND1CDK6NTRK1CDK2
SCHEMBL13911604 0.67 JAK2 (0.59) ACVR1DYRK2ABL1BCRCCND1
SCHEMBL8311018 0.67 JAK2 (0.61) ACVR1DYRK2CDK2JAK1
SCHEMBL4377094 0.66 JAK2 (0.61) DYRK2
SCHEMBL12128812 0.65 EPHX2 (0.79) GRM5CCNT1CCNE1CDK2CDK9
SCHEMBL17465855 0.64 NUAK1 (0.67)
SCHEMBL1355133 0.64 CDK1 (0.55) CCND1CDK6CCNT1CCNE1CDK2

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 PRKAA2 1467/4885ACVR1 49/4885HRH3 1453/4885

“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.