SCHEMBL520105

SCHEMBL520105

CN1CCOCc2cc(N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
GAA P10253 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.42
RAD52 P43351 1/20 0.42
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.38
PTK2B Q14289 2/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 1/20 0.38
NR4A1 P22736 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
KCNQ2 O43526 1/20 0.36
ADRA2C P18825 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAF1 P04049 1/20 0.35

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
SCHEMBL13699001 0.82 KCNQ2 (0.45) MAPTGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL2333530 0.80 MAPT (0.49) MAPTGAASMN1; SMN2KDM4ERAD52
SCHEMBL3154176 0.80 MAPT (0.49) MAPTGAASMN1; SMN2KDM4ERAD52
Hydrochloric Acid SCHEMBL31035874 0.78 MAPT (0.51) MAPTGAASMN1; SMN2KDM4ERAD52
SCHEMBL23730151 0.77 SRD5A1 (0.39) MAPTGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL26700312 0.77 TDP1 (0.38) MAPTGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL30464716 0.75 ALDH1A1 (0.58) MAPTGAAKDM4ERAD52ALDH1A1
SCHEMBL1453685 0.75 ALDH1A1 (0.58) MAPTGAAKDM4ERAD52ALDH1A1
SCHEMBL15143883 0.74 ACHE (0.42) MAPTKDM4EALDH1A1KMT2APTK2B
SCHEMBL21671853 0.74 KDM4E (0.51) MAPTGAAKDM4ERAD52ALDH1A1

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 MAPT 3109/4885GAA 3085/4885SMN1; SMN2 4722/4885

“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.