SCHEMBL520985

SCHEMBL520985

COc1cc(N(C)C(=O)CN2CCN(C)CC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
PDGFRB P09619 3/20 0.42
FGFR1 P11362 3/20 0.42
KDR P35968 3/20 0.42
PDGFRA P16234 2/20 0.42
FLT1 P17948 2/20 0.42
FGFR2 P21802 2/20 0.42
FGFR4 P22455 2/20 0.42
FGFR3 P22607 2/20 0.42
FLT4 P35916 2/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
KIT P10721 1/20 0.42
NTRK3 Q16288 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL521220 0.87 HRH3 (0.48) AURKALMNASMN1; SMN2MAPK1
SCHEMBL521221 0.82 SIRT6 (0.53) AURKALMNARAB9ASMN1; SMN2
SCHEMBL436539 0.79 DRD4 (0.50) PDGFRBFGFR1KDRPDGFRAFLT1
SCHEMBL4491465 0.78 DRD4 (0.49) AURKANPC1LMNARAB9ASMN1; SMN2
SCHEMBL13362089 0.77 MAPT (0.46) AURKALMNAHTR4
SCHEMBL30879349 0.77 ALDH1A1 (0.44) LMNACHEK1AAK1
SCHEMBL3939407 0.77 ALDH1A1 (0.44) PDGFRBFGFR1KDRLMNACHEK1
SCHEMBL30879400 0.77 ALDH1A1 (0.44) PDGFRBFGFR1KDRLMNACHEK1
SCHEMBL8256016 0.75 LMNA (0.52) NPC1LMNARAB9ASMN1; SMN2MELK
SCHEMBL4490990 0.75 DRD4 (0.46) NPC1LMNARAB9ASMN1; SMN2MELK

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 AURKA 451/4885PDGFRB 57/4885FGFR1 10/4885

“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.