SCHEMBL522019

SCHEMBL522019

CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DRD4 P21917 1/20 0.51
HRH4 Q9H3N8 2/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 2/20 0.48
KCNJ1 P48048 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.46
HTR7 P34969 1/20 0.44
MEN1 O00255 1/20 0.44
RIPK1 Q13546 1/20 0.44
HSD17B10 Q99714 1/20 0.43
HTT P42858 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
SCHEMBL2319179 0.89 HTT (0.56) ALDH1A1MAPTLMNASMN1; SMN2DRD4
SCHEMBL522703 0.88 PKM (0.50) ALDH1A1MAPTLMNASMN1; SMN2DRD4
SCHEMBL521388 0.86 HPGD (0.60) ALDH1A1MAPTLMNASMN1; SMN2DRD4
Morpholine SCHEMBL522228 0.81 HPGD (0.54) ALDH1A1MAPTLMNASMN1; SMN2DRD4
SCHEMBL28432923 0.81 KDM4E (0.64) ALDH1A1MAPTLMNASMN1; SMN2DRD4
SCHEMBL28442143 0.79 PKM (0.62) ALDH1A1MAPTLMNASMN1; SMN2DRD4
SCHEMBL28896779 0.79 ALDH1A1 (0.64) ALDH1A1MAPTLMNASMN1; SMN2DRD4
SCHEMBL28439032 0.78 ALDH1A1 (0.62) ALDH1A1MAPTLMNAPKMKDM4E
SCHEMBL6753972 0.78 GAA (0.64) ALDH1A1MAPTLMNASMN1; SMN2PKM
Hydrochloric Acid SCHEMBL522411 0.78 KDM4E (0.58) ALDH1A1MAPTLMNADRD4HRH4

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 ALDH1A1 779/4885MAPT 3109/4885LMNA 3783/4885

“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.