SCHEMBL519876

SCHEMBL519876

C[S+]([O-])c1ncc2ccc(C(O)c3ccccc3)n2n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
IDO1 P14902 2/20 0.30
TDO2 P48775 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
SCHEMBL16542597 0.77 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2CYP3A4CYP2D6
SCHEMBL520682 0.76 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2CYP3A4CYP2D6
SCHEMBL520662 0.75 INSR (0.44) ALDH1A1KDM4ESMN1; SMN2CYP3A4CYP2D6
SCHEMBL520644 0.73 TSHR (0.31) LMNA
SCHEMBL521052 0.69 JAK2 (0.38) CYP3A4
SCHEMBL521518 0.68 EGLN2 (0.39) ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL521474 0.68 EGLN2 (0.39) CYP3A4
SCHEMBL521369 0.68 ALK (0.41) ALDH1A1SMN1; SMN2
SCHEMBL519194 0.68 JAK2 (0.55) CYP3A4
SCHEMBL521355 0.67 JAK2 (0.43) CYP3A4

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 ALDH1A1 779/4885KDM4E 192/4885SMN1; SMN2 4722/4885

“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.