SCHEMBL520922

SCHEMBL520922

CN1CCC(C(=O)N2CCC(c3ccc([N+](=O)[O-])cc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
NAMPT P43490 3/20 0.51
SLC18A3 Q16572 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.45
DPP4 P27487 1/20 0.44
HSD11B1 P28845 1/20 0.44
MGLL Q99685 1/20 0.44
MAPT P10636 2/20 0.44
SIRT6 Q8N6T7 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL426360 0.86 SLC18A3 (0.58) KMT2ASLC18A3ALDH1A1HPGDLMNA
SCHEMBL520243 0.84 ALDH1A1 (0.55) KMT2ASLC18A3ALDH1A1HPGDLMNA
SCHEMBL21814290 0.81 KMT2A (0.53) KMT2ANAMPTTDP1LMNAMAPT
SCHEMBL520567 0.81 NAMPT (0.55) NAMPTSLC18A3
SCHEMBL4184580 0.81 ALDH1A1 (0.58) KMT2ASLC18A3ALDH1A1HPGDLMNA
SCHEMBL7300130 0.81 MAPT (0.55) KMT2ATDP1ALDH1A1LMNAMAPT
SCHEMBL25513439 0.80 NAMPT (0.54) KMT2ANAMPTALDH1A1LMNAHSD11B1
SCHEMBL521306 0.80 SIRT6 (0.65) KMT2ATDP1ALDH1A1HPGDLMNA
SCHEMBL853823 0.79 SLC18A3 (0.58) KMT2ASLC18A3TDP1ALDH1A1HPGD
SCHEMBL7529885 0.79 SMN1; SMN2 (0.52) KMT2ASLC18A3ALDH1A1HPGDLMNA

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 KMT2A 114/4885NAMPT 2842/4885SLC18A3 4672/4885

“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.