SCHEMBL1601717

SCHEMBL1601717

c1nc(N2CC[N]CC2)c2sccc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.70
KIT P10721 2/20 0.51
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
ADRB3 P13945 3/20 0.45
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
HRH4 Q9H3N8 2/20 0.42
HTT P42858 1/20 0.41
PDE4D Q08499 3/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL190521 0.83 HTR2C (0.68) HTR2CKITPIK3R1PIK3CAKDM4E
SCHEMBL1601613 0.83 HTR2C (1.00) HTR2CKITAXLMKNK1MKNK2
SCHEMBL31337089 0.80 HTR2C (0.65) HTR2CKITAXLMKNK1MKNK2
SCHEMBL12789863 0.80 HTR2C (0.65) HTR2CKITAXLMKNK1MKNK2
SCHEMBL4193100 0.80 HTR2C (0.65) HTR2CKITAXLMKNK1MKNK2
SCHEMBL13034670 0.80 HTR2C (0.65) HTR2CKITAXLMKNK1MKNK2
SCHEMBL14107782 0.79 HTR2C (0.63) HTR2CKITADRB2ADRB1ADRB3
SCHEMBL12988760 0.77 HTR2C (0.60) HTR2CKITAXLMKNK1MKNK2
SCHEMBL4193161 0.75 HTR2C (0.58) HTR2CKITAXLMKNK1MKNK2
SCHEMBL16023508 0.75 SIRT2 (0.60) HTR2CKITADRB2ADRB1ADRB3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP disclosed
US-8080561-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2011-12-20 US disclosed
US-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2011-06-30 US disclosed
US-7919502-B2 Pyridopyrazines and derivatives thereof as ALK and c-MET inhibitors CEPHALON, INC. (US) 2011-04-05 US disclosed
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2010-02-25 US disclosed
US-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 US disclosed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 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 (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-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET HTR2C 806/4885KIT 37/4885AXL 189/4885
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET HTR2C 806/4885KIT 37/4885AXL 189/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET HTR2C 806/4885KIT 37/4885AXL 189/4885

“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.