SCHEMBL522306

SCHEMBL522306

Cc1c([N+](=O)[O-])ccc2[nH]c(=O)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NOS1 P29475 3/20 0.40
NOS2 P35228 2/20 0.39
HSD17B10 Q99714 1/20 0.38
MAPT P10636 3/20 0.37
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
CYP3A4 P08684 2/20 0.37
GRIA1 P42261 2/20 0.37
GRIA2 P42262 2/20 0.37
GRIA3 P42263 2/20 0.37
GRIA4 P48058 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5331026 0.81 CDK1 (0.41) TSHRSMN1; SMN2TDP1NOS1NOS2
SCHEMBL23137519 0.77 NOS1 (0.48) TSHRNOS1NOS2LMNACYP1A2
SCHEMBL2149156 0.77 OGT (0.43) TSHRSMN1; SMN2TDP1NOS1HSD17B10
SCHEMBL14534370 0.73 NOS1 (0.44) TSHRNOS1NOS2CYP3A4LMNA
SCHEMBL14082407 0.73 NOS1 (0.44) TSHRNOS1NOS2MAPTLMNA
SCHEMBL19406050 0.73 NOS1 (0.44) TSHRNOS1NOS2MAPTLMNA
SCHEMBL522732 0.73 NOS1 (0.44) TSHRNOS1NOS2HSD17B10MAPT
SCHEMBL1027569 0.72 NOS1 (0.49) TSHRNOS1NOS2MAPTGRIN2D
SCHEMBL11453220 0.70 F2 (0.38) TSHRNOS1NOS2MAPTGRIN2D
SCHEMBL9719281 0.70 TDP1 (0.71) TSHRSMN1; SMN2TDP1HSD17B10MAPT

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 TSHR 2182/4885SMN1; SMN2 4722/4885TDP1 1698/4885

“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.