SCHEMBL521266

SCHEMBL521266

O=C(O)C1CCCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
ALDH1A1 P00352 2/20 0.68
MAPK1 P28482 1/20 0.68
NOTUM Q6P988 4/20 0.54
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
SSTR1 P30872 1/20 0.48
SSTR3 P32745 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL29393571 0.92 NOTUM (0.65) MAPTALDH1A1MAPK1NOTUMPOLB
SCHEMBL12005041 0.88 MAPT (0.67) MAPTALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL14711243 0.84 MAPT (0.73) MAPTALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL14711628 0.84 MAPT (0.73) MAPTALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL2560181 0.84 NOTUM (0.55) MAPTALDH1A1MAPK1NOTUMTDP1
SCHEMBL27881 0.82 MAPT (0.70) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL21848251 0.82 MAPT (0.63) MAPTALDH1A1MAPK1NOTUMSMN1; SMN2
SCHEMBL3455666 0.81 ALDH1A1 (1.00) MAPTALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL21848210 0.81 MAPT (0.74) MAPTALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL520330 0.81 MAPT (0.62) MAPTALDH1A1MAPK1HTTSMN1; SMN2

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 MAPT 3109/4885ALDH1A1 779/4885MAPK1 264/4885

“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.