SCHEMBL3131044

SCHEMBL3131044

Fc1ccc(Nc2cncc(Cl)n2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.51
GRM4 Q14833 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
JAK2 O60674 5/20 0.39
JAK3 P52333 3/20 0.39
BRAF P15056 1/20 0.38
BTK Q06187 2/20 0.37
LYN P07948 1/20 0.37
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
GRM5 P41594 1/20 0.36
STAT3 P40763 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6658632 0.83 CDK2 (0.54) CDK2GRM4GRM5
SCHEMBL20385536 0.80 MKNK1 (0.51) MKNK1MKNK2JAK2JAK3BTK
SCHEMBL6302354 0.79 CDK2 (0.69) CDK2GRM4DRD2HTR2AHRH1
SCHEMBL6657536 0.75 HCAR3 (0.55) CDK2GRM5
SCHEMBL3146801 0.75 CDK2 (0.62) CDK2GRM4GRM5
SCHEMBL16245640 0.74 ALDH1A1 (0.51) MKNK1MKNK2JAK2JAK3JAK1
SCHEMBL4749514 0.73 JAK2 (0.60) CDK2JAK2JAK3BTKKCNH2
SCHEMBL14672478 0.73 JAK2 (0.60) CDK2JAK2JAK3BTKKCNH2
SCHEMBL3134667 0.73 SLC2A1 (0.42) JAK2JAK3BTKJAK1TYK2
SCHEMBL4749516 0.73 HRH1 (0.50) CDK2GRM4DRD2HTR2AHRH1

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-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

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 3168/4885GRM4 357/4885MKNK1 468/4885

“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.