SCHEMBL522373

SCHEMBL522373

CS(=O)(=O)c1cccc(B(O)O)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TTR P02766 1/20 0.35
BCAT2 O15382 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
CDK2 P24941 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL48859 0.79 ENPP2 (0.43) ENPP2BCAT2TSHRLOX
SCHEMBL9359459 0.76 CDK2 (0.47) ENPP2L3MBTL1TTRBCAT2ALDH1A1
SCHEMBL1110597 0.75 GAA (0.48) L3MBTL1TTRBCAT2ALDH1A1TSHR
SCHEMBL11133598 0.74 L3MBTL1 (0.48) L3MBTL1TTRALDH1A1TSHRTDP1
SCHEMBL6622710 0.74 CA2 (0.50) L3MBTL1ALDH1A1GAACDK2CA12
SCHEMBL29196725 0.73 MEN1 (0.39) L3MBTL1TTRALDH1A1TSHRTDP1
SCHEMBL2934625 0.73 ENPP2 (0.38) ENPP2TTRALDH1A1TSHRHSD17B10
SCHEMBL456613 0.72 CA2 (0.48) L3MBTL1TTRALDH1A1GAACDK2
SCHEMBL29878430 0.72 CA2 (0.48) L3MBTL1TTRALDH1A1GAACDK2
SCHEMBL2061390 0.72 ADRA2A (0.38) L3MBTL1TTRGAACA12CA1

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 ENPP2 399/4885L3MBTL1 2484/4885TTR 2267/4885

“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.