SCHEMBL3146801

SCHEMBL3146801

Clc1cncc(Nc2ccccn2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.62
GRM5 P41594 4/20 0.57
GRM4 Q14833 1/20 0.54
KDR P35968 3/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPK10 P53779 1/20 0.48
GFER P55789 1/20 0.48
ABL1 P00519 1/20 0.45
PIM1 P11309 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 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
SCHEMBL3128890 0.78 MECP2 (0.53) KDRKMT2AMEN1MAPK10GFER
SCHEMBL6658632 0.77 CDK2 (0.54) CDK2GRM5GRM4KDRKMT2A
SCHEMBL221242 0.77 KMT2A (0.76) GRM5KDRKMT2AMEN1MAPK10
SCHEMBL29391624 0.77 KMT2A (0.76) GRM5KDRKMT2AMEN1MAPK10
SCHEMBL1678613 0.77 CDK2 (1.00) CDK2GRM4KMT2AMEN1RAB9A
SCHEMBL618299 0.76 KMT2A (0.57) KDRKMT2AMEN1MAPK10GFER
SCHEMBL30206142 0.76 KMT2A (0.57) KDRKMT2AMEN1MAPK10GFER
SCHEMBL17008487 0.76 KDR (0.49) GRM5KDRKMT2AMEN1MAPK10
SCHEMBL3131044 0.75 CDK2 (0.51) CDK2GRM5GRM4
SCHEMBL11133606 0.74 KMT2A (0.73) GRM5KDRKMT2AMEN1MAPK10

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
WO-2004004730-A2 2-AMINOPYRAZINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 WO claimed
EP-1742935-B1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-02-24 EP disclosed
US-7642354-B2 Use treating nervous system disorders, as neuroprotectants, gastrointestinal disorders, cardiovascular disorders; e.g. 2-(5-phenylpyridin-2-ylamino)-6-pyridin-2-ylpyrimidine ICAGEN, INC. (US) 2010-01-05 US disclosed
EP-1742935-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-17 EP disclosed
WO-2005121126-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-12-22 WO disclosed
US-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-27 US disclosed
WO-2004004730-A2 2-AMINOPYRAZINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 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 (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-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators KCNJ2, KCNH2, KCNJ1 CDK2 3168/4885GRM5 195/4885GRM4 357/4885

“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.