SCHEMBL521846

SCHEMBL521846

COc1cc(N2CCN(C[C@H](C)O)CC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.52
ALDH1A1 P00352 7/20 0.52
LMNA P02545 4/20 0.52
GAA P10253 3/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CYP2D6 P10635 1/20 0.46
GPR174 Q9BXC1 4/20 0.46
NPY1R P25929 1/20 0.44
HTT P42858 1/20 0.44
NPY2R P49146 1/20 0.44

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
SCHEMBL521847 1.00 MAPT (0.52) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL521317 0.88 MAPT (0.56) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL521316 0.88 MAPT (0.56) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL521107 0.83 MAPT (0.51) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL521106 0.83 MAPT (0.51) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL520843 0.82 JAK2 (0.44) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL520842 0.82 JAK2 (0.44) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL2206124 0.82 MAPT (0.51) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL3345297 0.81 MAPT (0.54) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL30020102 0.80 MAPT (0.69) MAPTALDH1A1LMNAGAACYP1A2

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 3 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

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 779/4885LMNA 3783/4885

“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.