SCHEMBL520577

SCHEMBL520577

CC(=O)Nc1cc([N+](=O)[O-])ccc1C1=CCN(CC(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
SLC6A4 P31645 1/20 0.39
ADAM10 O14672 1/20 0.38
ERBB2 P04626 1/20 0.38
CYP19A1 P11511 1/20 0.38
HTR1F P30939 1/20 0.38

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
SCHEMBL521178 0.84 ADAM10 (0.49) SMN1; SMN2ALDH1A1L3MBTL1CCNT1CDK9
SCHEMBL16385666 0.83 SLC6A4 (0.55) SMN1; SMN2ALDH1A1SLC6A4ADAM10ERBB2
SCHEMBL521942 0.82 CCNT1 (0.50) SMN1; SMN2ALDH1A1CCNT1CDK9SLC6A4
SCHEMBL520310 0.80 POLB (0.39) SMN1; SMN2ALDH1A1CCNT1CDK9SLC6A4
SCHEMBL520126 0.78 PDK4 (0.48) SMN1; SMN2ALDH1A1CCNT1CDK9ADAM10
SCHEMBL521338 0.73 HTR6 (0.49) SMN1; SMN2CYP19A1
SCHEMBL27932415 0.72 SLC6A4 (0.41) ALDH1A1SLC6A4ADAM10ERBB2
SCHEMBL10036180 0.71 ADAM10 (0.47) SMN1; SMN2ALDH1A1CCNT1CDK9SLC6A4
SCHEMBL27945231 0.70 KDM4E (0.41) ALDH1A1
SCHEMBL10036445 0.69 ADAM10 (0.46) ALDH1A1SLC6A4ADAM10ERBB2

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 SMN1; SMN2 4722/4885ALDH1A1 779/4885L3MBTL1 2484/4885

“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.