SCHEMBL517488

SCHEMBL517488

COc1cc(N2CCC(NCCO)CC2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.48
OPRK1 P41145 1/20 0.43
HTR4 Q13639 5/20 0.40
LGMN Q99538 1/20 0.40
SUV39H2 Q9H5I1 2/20 0.40
DPP4 P27487 3/20 0.38
SSTR5 P35346 1/20 0.38
VCP P55072 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL13380517 0.89 DPP4 (0.39) EGFRHTR4LGMNSUV39H2DPP4
SCHEMBL23259863 0.89 CARM1 (0.45) EGFRLGMNSUV39H2DPP4SSTR5
SCHEMBL10206165 0.88 EGFR (0.48) EGFRHTR4LGMNSUV39H2DPP4
SCHEMBL13380441 0.86 EGFR (0.43) EGFRHTR4LGMNSUV39H2DPP4
SCHEMBL13380460 0.82 SUV39H2 (0.44) EGFRLGMNSUV39H2DPP4SSTR5
SCHEMBL10205917 0.81 DPP4 (0.37) EGFRLGMNDPP4SSTR5VCP
SCHEMBL1911948 0.81 SUV39H2 (0.46) HTR4LGMNSUV39H2DPP4ALDH1A1
SCHEMBL517612 0.81 ALDH1A1 (0.61) EGFRALDH1A1
SCHEMBL6220522 0.80 GAA (0.47) EGFROPRK1LGMNVCPALDH1A1
SCHEMBL517585 0.79 LGMN (0.46) EGFROPRK1HTR4LGMNSUV39H2

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 disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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 (2 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 EGFR 40/4885OPRK1 1156/4885HTR4 4395/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 EGFR 1187/4885OPRK1 3196/4885HTR4 2356/4885

“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.