SCHEMBL4898772

SCHEMBL4898772

COc1ccc(-c2nccs2)nc1Nc1ccc(C(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.39
SRC P12931 5/20 0.39
ZAP70 P43403 4/20 0.39
ECE1 P42892 1/20 0.37
SMPD3 Q9NY59 1/20 0.36
CYP1A1 P04798 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1B1 Q16678 2/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 1/20 0.33
CDK2 P24941 1/20 0.33
KCNB1 Q14721 1/20 0.33
CTSA P10619 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4902768 0.82 RAB9A (0.39) SYKSRCZAP70ECE1SMPD3
Hydrochloric Acid SCHEMBL4904396 0.81 RAB9A (0.39) SYKSRCZAP70ECE1SMPD3
SCHEMBL4899246 0.81 RAB9A (0.48) SYKSRCZAP70ECE1SMPD3
SCHEMBL4903201 0.80 RAB9A (0.42) SYKSRCZAP70ECE1SMPD3
SCHEMBL4902787 0.80 EDNRA (0.38) TSHRRAB9AMEN1GAAMAPT
SCHEMBL4902558 0.80 TRPM8 (0.45) MAPTALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL5309347 0.80 RAB9A (0.47) SYKSRCZAP70ECE1SMPD3
SCHEMBL4891073 0.79 CTSC (0.40) SYKSRCZAP70CYP1A1CYP1A2
SCHEMBL4894058 0.79 CTSC (0.40) SYKSRCZAP70CYP1A1CYP1A2
SCHEMBL4901213 0.79 CTSC (0.47) CDK2

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 SYK 4140/4885SRC 4155/4885ZAP70 3314/4885

“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.