SCHEMBL4895051

SCHEMBL4895051

Cc1cnn(-c2cccc(Nc3ccc(-c4cccc(F)c4)cn3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
GRM5 P41594 1/20 0.41
FYN P06241 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
KDR P35968 1/20 0.37
ABL1 P00519 1/20 0.36
WNT3A P56704 4/20 0.36
EGLN1 Q9GZT9 2/20 0.35
PDE4B Q07343 1/20 0.34
CHEK1 O14757 1/20 0.34
CDK7 P50613 1/20 0.34
CTSC P53634 1/20 0.34

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
Hydrochloric Acid SCHEMBL4896673 0.99 ALDH1A1 (0.45) ALDH1A1GRM5FYNKDM4EMAPT
SCHEMBL4903204 0.89 KDM4E (0.43) ALDH1A1GRM5KDM4EMAPTMAPK1
SCHEMBL4896598 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMAPK1NPSR1
SCHEMBL4899881 0.79 TSHR (0.39) ALDH1A1GRM5KDM4EMAPTMAPK1
SCHEMBL4899608 0.79 CYP1A2 (0.41) ALDH1A1GRM5KDM4EMAPTMAPK1
SCHEMBL5332280 0.78 EGLN1 (0.50) GRM5MAPTNPSR1ABL1WNT3A
SCHEMBL4892363 0.77 CYP1A2 (0.35) ALDH1A1KDM4EMAPTMAPK1NPSR1
SCHEMBL4904831 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTMAPK1NPSR1
Hydrochloric Acid SCHEMBL4904519 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTNPSR1CYP1A2
SCHEMBL3128924 0.76 KDM4E (0.42) ALDH1A1KDM4EMAPTMAPK1NPSR1

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 8 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 claimed
CN-1980923-A Polycyclic pyridines as potassium ion channel modulators ICAGEN INC (US) 2007-06-13 CN claimed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP claimed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO claimed
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
CN-1980923-A Polycyclic pyridines as potassium ion channel modulators ICAGEN INC (US) 2007-06-13 CN 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 ALDH1A1 3179/4885GRM5 392/4885FYN 2863/4885

“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.