SCHEMBL4901247

SCHEMBL4901247

COCCOc1ccc(-c2ccccn2)nc1Nc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.48
MECP2 P51608 1/20 0.42
KCNN1 Q92952 1/20 0.42
KCNN2 Q9H2S1 1/20 0.42
MBD2 Q9UBB5 1/20 0.42
KCNN3 Q9UGI6 1/20 0.42
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GPR39 O43194 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALPL P05186 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38

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
SCHEMBL4901928 0.85 MEN1 (0.48) GRM5MECP2KCNN1KCNN2MBD2
SCHEMBL4904931 0.85 GRM5 (0.50) GRM5POLBMEN1KMT2ANPC1
SCHEMBL4892374 0.81 GRM5 (0.53) GRM5MECP2KCNN1KCNN2MBD2
SCHEMBL4892240 0.79 KMT2A (0.49) GRM5MECP2KCNN1KCNN2MBD2
Hydrochloric Acid SCHEMBL4900785 0.79 GRM5 (0.50) GRM5MECP2KCNN1KCNN2MBD2
SCHEMBL4892317 0.73 MECP2 (0.43) GRM5MECP2KCNN1KCNN2MBD2
SCHEMBL4902559 0.73 ATM (0.45) GRM5MEN1KMT2ATRPM8NPC1
SCHEMBL4900015 0.73 MECP2 (0.50) GRM5MECP2KCNN1KCNN2MBD2
SCHEMBL14182367 0.73 MECP2 (0.50) GRM5MECP2KCNN1KCNN2MBD2
SCHEMBL4902684 0.72 KDR (0.42) GRM5MEN1KMT2ATRPM8NPC1

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 GRM5 392/4885MECP2 2076/4885KCNN1 10/4885

“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.