SCHEMBL522423

SCHEMBL522423

CS(=O)(=O)c1ncc2ccc(-c3cnccn3)n2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.40
PTK2 Q05397 4/20 0.40
ALK Q9UM73 4/20 0.36
INSR P06213 3/20 0.33
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
NR4A1 P22736 1/20 0.30
ESR2 Q92731 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
DCTPP1 Q9H773 1/20 0.30
CYP1A2 P05177 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL522150 0.84 ALK (0.39) JAK2ALKINSRKDM4EALDH1A1
SCHEMBL19221995 0.80 PTGS2 (0.43) CYP3A4KDM4EALDH1A1POLBHSD17B10
SCHEMBL522659 0.79 JAK2 (0.36) JAK2PTK2ALKINSRCYP3A4
SCHEMBL31350304 0.78 CCR1 (0.40) JAK2PTK2ALKINSRCYP3A4
SCHEMBL25326741 0.78 CCR1 (0.40) JAK2PTK2ALKINSRCYP3A4
SCHEMBL19221994 0.76 INSR (0.44) JAK2PTK2ALKINSR
SCHEMBL522172 0.76 JAK2 (0.43) JAK2PTK2ALKINSRALDH1A1
SCHEMBL522182 0.75 JAK2 (0.41) JAK2PTK2ALKINSRKDM4E
SCHEMBL10258891 0.73 PTGS2 (0.32) ALKALDH1A1HSD17B10
SCHEMBL19221941 0.72

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 1/4885PTK2 592/4885ALK 2/4885

“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.