SCHEMBL519469

SCHEMBL519469

COC(=O)c1cccn1N(S)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
ALOX12 P18054 1/20 0.40
POLB P06746 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 3/20 0.38
PTPN1 P18031 1/20 0.37
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL519965 0.88 SMN1; SMN2 (0.44) LMNATSHRHPGDALDH1A1KDM4E
SCHEMBL522110 0.81 LMNA (0.39) LMNATSHRHPGDALDH1A1KDM4E
SCHEMBL520582 0.77 MTNR1A (0.41) LMNATSHRHPGDALDH1A1KDM4E
SCHEMBL519468 0.70 ALDH1A1 (0.52) LMNAHPGDALDH1A1KDM4EMEN1
SCHEMBL22512658 0.67 TSHR (0.41) LMNATSHRHPGDALDH1A1KDM4E
SCHEMBL8074109 0.65 ALDH1A1 (0.52) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL6885505 0.65 TSHR (0.58) LMNATSHRALDH1A1KDM4EMEN1
SCHEMBL10626822 0.65 TDP1 (0.47) ALDH1A1KDM4EMEN1KMT2ACYP1A2
Methyl Benzoate SCHEMBL6657451 0.65 TSHR (0.95) LMNATSHRHPGDALDH1A1MEN1
Methyl Benzoate SCHEMBL27936571 0.65 TSHR (0.95) LMNATSHRHPGDALDH1A1MEN1

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 LMNA 3783/4885TSHR 2182/4885HPGD 3064/4885

“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.