SCHEMBL4902886

SCHEMBL4902886

c1cc(Nc2ccc(-c3ccsc3)cn2)nc(-c2nccs2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSC P53634 18/20 0.49
CTSL P07711 2/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40

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
SCHEMBL4904404 0.88 PDPK1 (0.45) CTSCCYP1A1CYP1A2CYP1B1CYP2A6
Hydrochloric Acid SCHEMBL4902556 0.87 PDPK1 (0.44) CTSCCYP1A1CYP1A2CYP1B1CYP2A6
SCHEMBL4901420 0.86 CYP2A6 (0.52) CYP2A6
Hydrochloric Acid SCHEMBL4892298 0.85 CYP2A6 (0.51) CYP2A6
SCHEMBL4899201 0.84 MAPT (0.41) CTSCCYP1A1CYP1A2CYP1B1CYP2E1
SCHEMBL27682292 0.84 CYP1A1 (0.48) CTSCCYP1A1CYP1A2CYP1B1
Hydrochloric Acid SCHEMBL4894040 0.83 CYP1A1 (0.47) CTSCCYP1A1CYP1A2CYP1B1
SCHEMBL4905119 0.82 CTSC (0.48) CTSCCTSLCYP2E1CYP2A6CYP2B6
SCHEMBL4893043 0.81 MYC (0.41) CTSCCYP1A1CYP1A2CYP1B1
SCHEMBL4899942 0.80 LYN (0.49)

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 CTSC 3134/4885CTSL 4237/4885CYP1A1 2689/4885

“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.