SCHEMBL4902597

SCHEMBL4902597

CN(c1ccccn1)c1cccc(-c2ccccn2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
LMNA P02545 3/20 0.59
CCR1 P32246 3/20 0.59
CCR5 P51681 3/20 0.59
CCR8 P51685 3/20 0.59
TP53 P04637 3/20 0.59
ALOX15 P16050 3/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALPL P05186 1/20 0.59
HSP90AA1 P07900 1/20 0.59
ALPI P09923 1/20 0.59
ALPG P10696 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL4896587 0.87 KDM4E (0.43) KDM4EL3MBTL1LMNACCR1CCR5
SCHEMBL4904986 0.87 CYP2D6 (0.50) KDM4EL3MBTL1LMNACCR1CCR5
SCHEMBL29125638 0.85 KDM4E (0.63) KDM4EL3MBTL1LMNACCR1CCR5
SCHEMBL4468554 0.83 KDM4E (0.50) KDM4EL3MBTL1LMNACCR1CCR5
SCHEMBL231127 0.82 CYP2D6 (0.57) KDM4EL3MBTL1LMNACCR1CCR5
SCHEMBL29074199 0.81 KDM4E (0.49) KDM4EL3MBTL1LMNACCR1CCR5
Hydrochloric Acid SCHEMBL6775520 0.80 CYP2D6 (0.55) KDM4EL3MBTL1LMNACCR1CCR5
Methane SCHEMBL28533749 0.80 CYP2D6 (0.55) KDM4EL3MBTL1LMNACCR1CCR5
Hydrochloric Acid SCHEMBL4902943 0.80 KDM4E (0.61) KDM4EL3MBTL1LMNACCR1CCR5
SCHEMBL230942 0.80 GRM5 (0.47) KDM4EL3MBTL1LMNACCR1CCR5

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 KDM4E 542/4885L3MBTL1 3704/4885LMNA 3338/4885

“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.