SCHEMBL2276274

SCHEMBL2276274

O=C(OCc1ccccc1)N1CCC(N(c2c([N+](=O)[O-])cnc3[nH]ccc23)S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.51
JAK1 P23458 8/20 0.51
TYK2 P29597 6/20 0.51
JAK3 P52333 4/20 0.51
GRIN2B Q13224 7/20 0.42
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP3A4 P08684 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2270604 0.87 JAK2 (0.53) JAK2JAK1TYK2JAK3GRIN2B
SCHEMBL2283403 0.84 JAK1 (0.43) JAK2JAK1TYK2JAK3
SCHEMBL2272226 0.80 JAK2 (0.42) JAK2JAK1TYK2JAK3
SCHEMBL2276885 0.80 JAK1 (0.49) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL2275629 0.80 JAK2 (0.52) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL2277381 0.80 JAK1 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL2276073 0.80 JAK1 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL2274600 0.80 JAK1 (0.45) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL2280324 0.79 JAK1 (0.45) JAK2JAK1TYK2JAK3
SCHEMBL2293050 0.79 JAK1 (0.44) JAK2JAK1TYK2JAK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 JAK2 122/4885JAK1 434/4885TYK2 827/4885

“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.