SCHEMBL1601376

SCHEMBL1601376

O=C(c1ccccc1)N1CCNc2ncc(I)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.48
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
CRBN Q96SW2 2/20 0.40
AVPR2 P30518 2/20 0.39
OXTR P30559 2/20 0.39
AVPR1A P37288 2/20 0.39
STAT3 P40763 1/20 0.39
ALK Q9UM73 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR6 P46095 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL19908457 0.85 NOS1 (0.48) NOS1ALDH1A1HPGDCRBNSTAT3
SCHEMBL1600327 0.82 ALDH1A1 (0.45) ALDH1A1ALKHSD17B10KMT2AGAA
SCHEMBL1601639 0.80 NOS1 (0.53) NOS1ALDH1A1HPGDAVPR2OXTR
SCHEMBL3601421 0.80 NOS1 (0.49) NOS1ALDH1A1HPGDCRBNAVPR2
SCHEMBL1600998 0.80 AVPR2 (0.49) NOS1AVPR2OXTRAVPR1ASTAT3
SCHEMBL3601417 0.79 ALK (0.49) NOS1AVPR2OXTRAVPR1AALK
SCHEMBL1601256 0.78 ALK (0.37) ALKGPR6
SCHEMBL1601053 0.76 POLB (0.55) ALDH1A1ALKPOLBMAPT
SCHEMBL1601622 0.74 ALK (0.47) NOS1ALKHTTRAB9AMAPT
SCHEMBL1601670 0.73 ALK (0.46) ALDH1A1CRBNALKSIGMAR1POLB

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 26 patents — showing the first 20. 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 claimed
CN-101437819-A Pyridopyrazines and derivatives thereof as ALK and c-MET inhibitors CEPHALON INC (US) 2009-05-20 CN claimed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 US claimed
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
CN-101437819-B Pyridopyrazines and derivatives thereof as alk and c-MET inhibitors CEPHALON INC 2013-06-19 CN disclosed
US-8080561-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2011-12-20 US disclosed
US-8080561-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2011-12-20 US 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-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2011-06-30 US disclosed
US-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2011-06-30 US disclosed
US-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 US disclosed
US-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 US disclosed
US-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 US disclosed
EP-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP disclosed
CN-101437819-A Pyridopyrazines and derivatives thereof as ALK and c-MET inhibitors CEPHALON INC (US) 2009-05-20 CN disclosed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 US disclosed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 US disclosed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 US disclosed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 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 (2 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 NOS1 2349/4885ALDH1A1 251/4885HPGD 4726/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET NOS1 2349/4885ALDH1A1 251/4885HPGD 4726/4885

“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.