SCHEMBL519552

SCHEMBL519552

COc1ccc2c(c1)cc1cnc([S+](C)[O-])nn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL520104 0.80 SLC6A2 (0.30)
SCHEMBL521186 0.74 JAK2 (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL520504 0.73 JAK2 (0.48) ALDH1A1HSD17B10
SCHEMBL520835 0.69 JAK2 (0.44) ALDH1A1HSD17B10
SCHEMBL20357877 0.65 ROCK1 (0.66) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL519979 0.64 JAK2 (0.41) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL519968 0.64 PLK1 (0.39) KDM4EALDH1A1POLBMAPT
SCHEMBL519344 0.63 JAK2 (0.48)
SCHEMBL519515 0.62 PLK1 (0.58) EGFRALDH1A1NPC1RAB9AMEN1
SCHEMBL6619440 0.62 CYP1A2 (0.42) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A

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 EGFR 1187/4885KDM4E 192/4885ALDH1A1 779/4885

“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.