SCHEMBL4904831

SCHEMBL4904831

COc1ccc(Nc2cccc(-n3cc(C)cn3)n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
BTK Q06187 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
TTK P33981 1/20 0.35
TYK2 P29597 1/20 0.34
MAPT P10636 4/20 0.34
MKNK1 Q9BUB5 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 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 SCHEMBL4904519 0.99 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ALYNSRC
SCHEMBL4899881 0.83 TSHR (0.39) ALDH1A1NPC1RAB9ABTKKDM4E
SCHEMBL4899608 0.83 CYP1A2 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4896598 0.83 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ALYNSRC
SCHEMBL5332280 0.82 EGLN1 (0.50) SMN1; SMN2CCNA2CDK2TTKTYK2
SCHEMBL4892363 0.81 CYP1A2 (0.35) ALDH1A1NPC1RAB9ABTKKDM4E
SCHEMBL4903204 0.81 KDM4E (0.43) ALDH1A1NPC1RAB9AKDM4ECYP1A2
SCHEMBL4895051 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ECYP1A2MAPTNPSR1
Hydrochloric Acid SCHEMBL4896673 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ECYP1A2MAPTNPSR1
SCHEMBL5309523 0.76 CCND3 (0.48) LYNSRCCCNA2CDK2TYK2

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 ALDH1A1 3179/4885NPC1 1509/4885RAB9A 3132/4885

“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.