SCHEMBL520204

SCHEMBL520204

CNc1ccc2c(c1)C(NC(=O)OC(C)(C)C)C(O)C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM2 P08172 6/20 0.40
CHRM4 P08173 5/20 0.40
BACE1 P56817 4/20 0.38
EPHX2 P34913 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 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
SCHEMBL5121326 0.84 NR1H2 (0.41) CHRM1MEN1ALDH1A1KMT2ACHRM2
SCHEMBL2113831 0.84 NR1H2 (0.41) CHRM1MEN1ALDH1A1KMT2ACHRM2
SCHEMBL2113457 0.84 EPHX2 (0.38) CHRM1MEN1ALDH1A1KMT2ACHRM2
SCHEMBL4652861 0.84 EPHX2 (0.38) CHRM1MEN1ALDH1A1KMT2ACHRM2
SCHEMBL4651411 0.84 NR1H2 (0.41) CHRM1MEN1ALDH1A1KMT2ACHRM2
SCHEMBL4651408 0.84 NR1H2 (0.41) CHRM1MEN1ALDH1A1KMT2ACHRM2
SCHEMBL4652641 0.84 EPHX2 (0.38) CHRM1MEN1ALDH1A1KMT2ACHRM2
SCHEMBL4651792 0.81 EPHX2 (0.37) CHRM1MEN1ALDH1A1KMT2AEPHX2
SCHEMBL4651696 0.81 KCNA5 (0.40) CHRM1MEN1ALDH1A1KMT2ACHRM2
SCHEMBL4651793 0.81 EPHX2 (0.37) CHRM1MEN1ALDH1A1KMT2AEPHX2

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 CHRM1 4467/4885MEN1 3470/4885ALDH1A1 779/4885

“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.