SCHEMBL522703

SCHEMBL522703

O=[N+]([O-])c1ccc2[nH]c(CN3CCN(CCO)CC3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
DRD4 P21917 1/20 0.49
ALDH1A1 P00352 7/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
KCNJ1 P48048 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
RIPK1 Q13546 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL28442143 0.91 PKM (0.62) PKMDRD4ALDH1A1MAPTLMNA
SCHEMBL522019 0.88 ALDH1A1 (0.52) PKMDRD4ALDH1A1MAPTLMNA
SCHEMBL2319179 0.87 HTT (0.56) PKMDRD4ALDH1A1MAPTLMNA
SCHEMBL521388 0.84 HPGD (0.60) PKMDRD4ALDH1A1MAPTLMNA
Morpholine SCHEMBL522228 0.79 HPGD (0.54) PKMDRD4ALDH1A1MAPTLMNA
SCHEMBL7867650 0.79 PKM (0.67) PKMALDH1A1MAPTLMNAKCNJ1
SCHEMBL2321412 0.79 PKM (0.59) PKMALDH1A1MAPTLMNAKCNJ1
Hydrochloric Acid SCHEMBL521738 0.79 KDM4E (0.56) DRD4ALDH1A1MAPTKDM4ENPC1
SCHEMBL28896779 0.77 ALDH1A1 (0.64) PKMDRD4ALDH1A1MAPTLMNA
SCHEMBL28432923 0.77 KDM4E (0.64) PKMDRD4ALDH1A1MAPTLMNA

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 PKM 2336/4885DRD4 2424/4885ALDH1A1 779/4885

“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.