SCHEMBL522110

SCHEMBL522110

COC(=O)c1cc(Br)cn1N(S)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 3/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
ELANE P08246 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 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
SCHEMBL519469 0.81 LMNA (0.42) LMNAMEN1KMT2APOLBTSHR
SCHEMBL520582 0.75 MTNR1A (0.41) LMNAMEN1KMT2ATSHRRAB9A
SCHEMBL522109 0.73 KMT2A (0.48) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL519965 0.70 SMN1; SMN2 (0.44) LMNAMEN1KMT2APOLBTSHR
SCHEMBL16142787 0.67 NR4A2 (0.49) LMNAMEN1KMT2APOLBTSHR
SCHEMBL6224267 0.66 HDAC1 (0.53) LMNAMEN1KMT2ARAB9AALDH1A1
SCHEMBL1254373 0.66 CYP1A2 (0.46) LMNAMEN1KMT2APOLBTSHR
SCHEMBL8074109 0.65 ALDH1A1 (0.52) LMNAMEN1KMT2ARAB9AALDH1A1
SCHEMBL16115854 0.64 ADRA1D (0.51) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL23158886 0.64 KMT2A (0.53) LMNAMEN1KMT2APOLBALDH1A1

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 3783/4885MEN1 3470/4885KMT2A 114/4885

“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.