SCHEMBL521436

SCHEMBL521436

COc1cc(N2CCCN(C3CCN(CCO)CC3)CC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
L3MBTL3 Q96JM7 7/20 0.41
L3MBTL1 Q9Y468 7/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR4 Q13639 3/20 0.40
TP53BP1 Q12888 2/20 0.40
PLK1 P53350 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KMT2A Q03164 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR1D P28221 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL520525 0.94 L3MBTL3 (0.46) EGFRL3MBTL3L3MBTL1TP53BP1PLK1
SCHEMBL520789 0.87 ALDH1A1 (0.46) EGFRL3MBTL3L3MBTL1ALDH1A1MAPT
SCHEMBL14180538 0.87 TLR9 (0.48) ALDH1A1HTR4TLR9TLR8TLR7
SCHEMBL521798 0.85 MEN1 (0.41) EGFRALDH1A1HTR4PLK1KMT2A
SCHEMBL310656 0.85 ALDH1A1 (0.46) L3MBTL3L3MBTL1ALDH1A1SMN1; SMN2HTR4
SCHEMBL10206202 0.84 L3MBTL3 (0.53) EGFRL3MBTL3L3MBTL1ALDH1A1TP53BP1
SCHEMBL2234370 0.84 GAA (0.47) HTR4
SCHEMBL520521 0.82 ALK (0.48) EGFRL3MBTL3L3MBTL1MAPT
SCHEMBL310977 0.82 EGFR (0.42) EGFRALDH1A1SMN1; SMN2HTR4KMT2A
SCHEMBL29517345 0.82 ALDH1A1 (0.50) EGFRALDH1A1MAPT

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 EGFR 1187/4885L3MBTL3 3289/4885L3MBTL1 2484/4885

“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.