SCHEMBL520529

SCHEMBL520529

CC(C)(O)CN1CCN(c2cccc(N)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.57
HTR1A P08908 1/20 0.46
DRD2 P14416 4/20 0.46
MLYCD O95822 1/20 0.44
KCNH2 Q12809 2/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL519799 0.87 ALDH1A1 (0.50) MLYCDMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1815259 0.83 MAPT (0.62) ADRA2CMLYCDMAPTSMN1; SMN2ALDH1A1
SCHEMBL1126080 0.79 GAA (0.66) ADRA2CHTR1ADRD2KCNH2MAPT
SCHEMBL30647354 0.79 GAA (0.66) ADRA2CHTR1ADRD2KCNH2MAPT
SCHEMBL27808023 0.78 ADRA2C (0.60) ADRA2CHTR1ADRD2KCNH2MAPT
SCHEMBL520713 0.78 MAPT (0.50) MLYCDMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6942579 0.78 ADRA2C (0.80) ADRA2CHTR1AMLYCDMAPTSMN1; SMN2
SCHEMBL520966 0.76 ADRA2C (0.62) ADRA2CHTR1ADRD2KCNH2MAPT
SCHEMBL13362139 0.76 GAA (0.45) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7077636 0.76 ADRA2C (0.77) ADRA2CHTR1AMLYCDMAPTSMN1; 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 16 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-8633173-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC (US) 2014-01-21 US disclosed
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. 2013-11-07 US disclosed
US-8501936-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC. (US) 2013-08-06 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
CN-102459258-A Preparation and use of 1,2, 4-triazolo [1,5a ] pyridine derivatives CEPHALON INC 2012-05-16 CN disclosed
EP-2438066-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a]PYRIDINE DERIVATIVES Cephalon, Inc. (US) 2012-04-11 EP disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 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
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. (US) 2010-12-09 US disclosed
WO-2010141796-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a] PYRIDINE DERIVATIVES CEPHALON, INC. (US) 2010-12-09 WO 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 (3 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-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives JAK2, JAK1, JAK3 ADRA2C 1422/4885HTR1A 563/4885DRD2 4003/4885
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CCNA1, CCNY, RB1 ADRA2C 2125/4885HTR1A 1478/4885DRD2 4463/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ADRA2C 3907/4885HTR1A 3342/4885DRD2 2358/4885

“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.