SCHEMBL520939

SCHEMBL520939

O=C(Cn1ccc([N+](=O)[O-])n1)N1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.76
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2D6 P10635 1/20 0.62
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 1/20 0.59
GAA P10253 3/20 0.54
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.48
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL31738248 0.88 PKM (0.97) PKMCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL24156797 0.78 SMN1; SMN2 (0.51) PKMKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL522335 0.78 PKM (0.49) PKMCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL521747 0.78 SMN1; SMN2 (0.54) PKMKMT2AALDH1A1MEN1GAA
SCHEMBL31052729 0.77 GAA (0.57) PKMCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL521093 0.75 PKM (0.62) PKMCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL24884201 0.75 SMN1; SMN2 (0.48) PKMKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL1860255 0.74 PKM (0.61) PKMCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL12633753 0.74 KMT2A (0.64) PKMCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL31052720 0.73 PKM (0.60) PKMCYP1A2CYP3A4CYP2C19CYP2D6

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-3860976-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2021-08-11 EP disclosed
WO-2020070331-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2020-04-09 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

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 PKM 2336/4885CYP1A2 1812/4885CYP3A4 1768/4885

“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.