SCHEMBL519979

SCHEMBL519979

COc1ccc(Cl)cc1-c1ccc2cnc([S+](C)[O-])nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALK Q9UM73 5/20 0.37
INSR P06213 4/20 0.36
CYP3A4 P08684 1/20 0.36
PTK2 Q05397 1/20 0.36
NR1I2 O75469 2/20 0.36
HPGD P15428 2/20 0.35
NPM1 P06748 2/20 0.35
USP2 O75604 1/20 0.34
PRNP P04156 1/20 0.34
PPARG P37231 1/20 0.34
MAPK10 P53779 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL520046 0.92 JAK2 (0.40) JAK2ALKINSRCYP3A4PTK2
SCHEMBL519550 0.92 JAK2 (0.36) JAK2ALDH1A1KDM4EALKINSR
SCHEMBL521186 0.87 JAK2 (0.47) JAK2ALDH1A1KDM4EALKINSR
SCHEMBL519194 0.83 JAK2 (0.55) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520504 0.81 JAK2 (0.48) JAK2ALDH1A1ALKINSRCYP3A4
SCHEMBL520575 0.81 JAK2 (0.43) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520262 0.79 JAK2 (0.46) JAK2ALKINSRCYP3A4PTK2
SCHEMBL519245 0.79 JAK2 (0.42) JAK2ALDH1A1KDM4EALKINSR
SCHEMBL520035 0.78 JAK2 (0.41) JAK2ALKINSRCYP3A4PTK2
SCHEMBL519160 0.77 DYRK3 (0.43) JAK2ALDH1A1KDM4EALKINSR

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 JAK2 1/4885ALDH1A1 779/4885KDM4E 192/4885

“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.