SCHEMBL2274085

SCHEMBL2274085

CCOC(=O)Cc1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.44
JAK2 O60674 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.38
TYK2 P29597 3/20 0.38
JAK3 P52333 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR6 P50406 2/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
HDAC1 Q13547 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
SCHEMBL2271018 0.92 L3MBTL1 (0.38) JAK1JAK2KMT2ATYK2JAK3
SCHEMBL2278047 0.90 JAK2 (0.44) JAK1JAK2SMN1; SMN2TYK2JAK3
SCHEMBL12384871 0.90 JAK1 (0.43) JAK1JAK2SMN1; SMN2KMT2ATYK2
SCHEMBL2225399 0.89 LMNA (0.41) JAK1JAK2SMN1; SMN2KMT2ATYK2
SCHEMBL2278249 0.88 JAK1 (0.43) JAK1JAK2SMN1; SMN2KMT2ATYK2
SCHEMBL2275404 0.88 JAK1 (0.45) JAK1JAK2SMN1; SMN2KMT2ACYP3A4
SCHEMBL2276322 0.88 JAK1 (0.45) JAK1JAK2SMN1; SMN2TYK2JAK3
SCHEMBL2277746 0.87 JAK1 (0.45) JAK1JAK2SMN1; SMN2TYK2JAK3
SCHEMBL2224293 0.86 JAK1 (0.46) JAK1JAK2TYK2JAK3HTR6
SCHEMBL21091382 0.85 JAK2 (0.52) JAK1JAK2TYK2JAK3

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 JAK1 434/4885JAK2 122/4885SMN1; SMN2 4086/4885

“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.