SCHEMBL521517

SCHEMBL521517

COc1cc(Cn2ccnc2C)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.49
KCNH2 Q12809 1/20 0.45
HTT P42858 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
GRM2 Q14416 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ROCK2 O75116 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
WDR5 P61964 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL521141 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1LMNAKCNH2HTT
SCHEMBL31270697 0.77 LMNA (0.74) ALDH1A1L3MBTL1LMNAKCNH2HTR1A
SCHEMBL23204988 0.76 L3MBTL1 (0.60) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL277927 0.76 LMNA (0.64) ALDH1A1L3MBTL1LMNAKCNH2HTR1A
SCHEMBL4486484 0.74 CYP11B1 (0.51) ALDH1A1L3MBTL1LMNAKCNH2HTR1A
SCHEMBL5381277 0.72 ICMT (0.47) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL169675 0.72 LMNA (0.68) ALDH1A1L3MBTL1LMNAKCNH2HTT
SCHEMBL31729500 0.72 LMNA (0.68) ALDH1A1L3MBTL1LMNAKCNH2HTR1A
SCHEMBL27576241 0.71 LMNA (0.55) L3MBTL1LMNAKCNH2HTTHTR1A
SCHEMBL15929449 0.71 ALDH1A1 (0.51) ALDH1A1LMNAKCNH2HTTTDP1

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 ALDH1A1 779/4885L3MBTL1 2484/4885LMNA 3783/4885

“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.