SCHEMBL521453

SCHEMBL521453

C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
LMNA P02545 6/20 0.59
KMT2A Q03164 2/20 0.57
MAPT P10636 3/20 0.57
THRB P10828 1/20 0.57
SLC6A5 Q9Y345 6/20 0.53
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
DPP4 P27487 1/20 0.51
SLC6A9 P48067 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL521454 1.00 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL1127006 0.90 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL15540155 0.83 ALDH1A1 (0.55) ALDH1A1LMNAMAPTSLC6A5POLB
SCHEMBL30309487 0.83 ALDH1A1 (0.66) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL852655 0.83 ALDH1A1 (0.66) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL14464189 0.83 ALDH1A1 (0.79) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL3209990 0.81 MAPT (0.64) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL521316 0.81 MAPT (0.56) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL521317 0.81 MAPT (0.56) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL3030234 0.81 ALDH1A1 (0.61) ALDH1A1LMNAKMT2AMAPTTHRB

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 ALDH1A1 779/4885LMNA 3783/4885KMT2A 114/4885

“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.