SCHEMBL4902825

SCHEMBL4902825

O=C1CCCN1c1ccc(Nc2cccc(-c3cnccn3)n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
GAA P10253 1/20 0.41
KARS1 Q15046 3/20 0.40
HTR6 P50406 1/20 0.37
TYK2 P29597 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
AKR1C3 P42330 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
WEE1 P30291 1/20 0.35
TSHR P16473 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
SCHEMBL3138419 0.83 HPGDS (0.48) HPGDSGAAHTR6TYK2ALDH1A1
SCHEMBL4898735 0.82 KARS1 (0.49) KARS1TYK2WEE1
SCHEMBL6367920 0.82 SLC2A1 (0.42) HPGDSGAAALDH1A1AKR1C3MEN1
Hydrochloric Acid SCHEMBL4892965 0.81 PIP4K2A (0.40) HPGDSGAAHTR6TYK2ALDH1A1
SCHEMBL4900748 0.80 F10 (0.37) HPGDSGAAHTR6TYK2HPGD
SCHEMBL4901325 0.79 PIP4K2A (0.38) HPGDSHTR6TYK2CYP1A2HPGD
Hydrochloric Acid SCHEMBL5312344 0.79 F10 (0.36) HPGDSGAAHTR6TYK2HPGD
Hydrochloric Acid SCHEMBL4896665 0.79 NPC1 (0.36) HPGDSGAAHTR6TYK2ALDH1A1
Hydrochloric Acid SCHEMBL5312807 0.78 HCRTR1 (0.37) HPGDSHTR6TYK2CYP1A2HPGD
SCHEMBL5256909 0.78 KARS1 (0.47) KARS1TYK2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 HPGDS 3156/4885GAA 4613/4885KARS1 512/4885

“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.