SCHEMBL521692

SCHEMBL521692

O=[N+]([O-])c1cc(F)c(N2CCNCC2)cc1F

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.76
LMNA P02545 4/20 0.76
GAA P10253 2/20 0.76
ALDH1A1 P00352 12/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
PKM P14618 1/20 0.56
MAPK1 P28482 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL8069112 0.87 MAPT (0.71) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7546017 0.87 MAPT (0.71) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL521131 0.84 MAPT (0.67) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL19122927 0.83 MAPT (0.66) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL520982 0.83 MAPT (0.66) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL518729 0.83 MAPT (0.76) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL29847854 0.81 MAPT (0.76) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL5945309 0.81 ALDH1A1 (0.62) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL16513593 0.81 MAPT (0.76) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL26489288 0.81 MAPT (0.71) MAPTLMNAGAAALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752491-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2020-12-23 EP disclosed
WO-2019161224-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS GiraFpharma LLC (US) 2019-08-22 WO disclosed
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 3109/4885LMNA 3783/4885GAA 3085/4885

“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.