SCHEMBL519965

SCHEMBL519965

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
KCNH2 Q12809 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL519469 0.88 LMNA (0.42) NPC1RAB9AGAAALDH1A1KDM4E
SCHEMBL519964 0.73 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL522110 0.70 LMNA (0.39) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL4047050 0.69 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL31590636 0.67 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AGAAALDH1A1
Ethyl Benzoate SCHEMBL595705 0.67 LMNA (0.68) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL520582 0.66 MTNR1A (0.41) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL4787448 0.66 MAPT (0.54) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL28462554 0.65 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AGAAALDH1A1
Ethyl Benzoate SCHEMBL11441694 0.65 LMNA (0.66) SMN1; SMN2NPC1RAB9AGAAALDH1A1

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 SMN1; SMN2 4722/4885NPC1 3543/4885RAB9A 3888/4885

“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.