SCHEMBL4904404

SCHEMBL4904404

c1ccc(-c2ccc(Nc3cccc(-c4nccs4)n3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.45
RAB9A P51151 3/20 0.42
SYK P43405 6/20 0.41
MCL1 Q07820 1/20 0.39
CTSC P53634 1/20 0.39
SRC P12931 1/20 0.39
CDK2 P24941 1/20 0.39
ZAP70 P43403 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
PRKCI P41743 1/20 0.38
CYP2A6 P11509 1/20 0.38
KDR P35968 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KARS1 Q15046 1/20 0.37

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 SCHEMBL4902556 0.99 PDPK1 (0.44) PDPK1RAB9ASYKMCL1CTSC
SCHEMBL4901420 0.90 CYP2A6 (0.52) RAB9ASYKMCL1SRCCDK2
Hydrochloric Acid SCHEMBL4892298 0.89 CYP2A6 (0.51) RAB9ASYKMCL1SRCCDK2
SCHEMBL27682292 0.88 CYP1A1 (0.48) RAB9ASYKCTSCSRCCDK2
SCHEMBL4902886 0.88 CTSC (0.49) CTSCCYP1A1CYP1A2CYP1B1CYP2A6
Hydrochloric Acid SCHEMBL4894040 0.87 CYP1A1 (0.47) RAB9ASYKCTSCSRCCDK2
SCHEMBL3130986 0.86 PDPK1 (0.44) PDPK1RAB9ASYKMCL1CTSC
SCHEMBL4899201 0.86 MAPT (0.41) RAB9ASYKCTSCSRCCDK2
SCHEMBL4899437 0.83 RAB9A (0.49) PDPK1RAB9ASYKSRCCDK2
SCHEMBL4893043 0.82 MYC (0.41) RAB9ASYKCTSCSRCCDK2

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 9 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-1315710-B1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-04-25 EP 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 PDPK1 773/4885RAB9A 3132/4885SYK 4140/4885

“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.