SCHEMBL519651

SCHEMBL519651

C[S+]([O-])c1ncc2ccc(-c3cccc4cccnc34)n2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.41
PTK2 Q05397 1/20 0.41
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 2/20 0.35
LMNA P02545 3/20 0.35
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MMP2 P08253 2/20 0.35
TSHR P16473 2/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MMP9 P14780 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
SCHEMBL520377 0.78 JAK2 (0.44) JAK2PTK2HTR2AHTR2CHTR2B
SCHEMBL521474 0.78 EGLN2 (0.39) JAK2CYP3A4
SCHEMBL520010 0.78 FYN (0.40) JAK2KDM4EMAPTCYP3A4
SCHEMBL521518 0.78 EGLN2 (0.39) JAK2KDM4ECYP3A4CYP2D6HSD17B10
SCHEMBL520262 0.75 JAK2 (0.46) JAK2PTK2CYP3A4
SCHEMBL520068 0.75 GAA (0.41) JAK2PTK2SMN1; SMN2KDM4EMAPT
SCHEMBL520890 0.75 HSD11B1 (0.37) JAK2TSHRCYP3A4CYP2D6ALOX15
SCHEMBL520662 0.74 INSR (0.44) JAK2PTK2SMN1; SMN2KDM4EMAPT
SCHEMBL520246 0.74 ALK (0.51) JAK2CYP3A4
SCHEMBL521204 0.74 JAK2 (0.44) JAK2CYP3A4

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 592/4885HTR2A 2335/4885

“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.