SCHEMBL4901358

SCHEMBL4901358

Clc1ccc(Nc2cccc(-c3nccs3)n2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
RAB9A P51151 4/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
XBP1 P17861 1/20 0.46
AHR P35869 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A1 P04798 4/20 0.46
CYP1A2 P05177 4/20 0.46
CYP1B1 Q16678 4/20 0.46
KDR P35968 1/20 0.41
SYK P43405 6/20 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
SCHEMBL4896690 0.84 SYK (0.49) RAB9AMEN1KMT2ANPC1CYP1A1
SCHEMBL4899942 0.84 LYN (0.49) SLC2A1RAB9AMEN1MAPTKMT2A
SCHEMBL4899975 0.84 RAB9A (0.40) RAB9AMEN1MAPTKMT2ACYP1A1
SCHEMBL27682393 0.84 RAB9A (0.40) RAB9ACYP1A1CYP1A2CYP1B1SYK
SCHEMBL8279349 0.84 RAB9A (0.38) RAB9ACYP1A1CYP1A2CYP1B1SYK
Hydrochloric Acid SCHEMBL4897055 0.83 SYK (0.37) RAB9ACYP1A1CYP1A2CYP1B1SYK
SCHEMBL4904404 0.82 PDPK1 (0.45) RAB9AMEN1KMT2ANPC1CYP1A1
SCHEMBL4899437 0.82 RAB9A (0.49) RAB9AMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4901965 0.81 SYK (0.41) RAB9ACYP1A1CYP1A2CYP1B1SYK
SCHEMBL4892219 0.81 SYK (0.39) RAB9AKMT2ASMN1; SMN2NPC1KDM4E

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 4 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
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 SLC2A1 2369/4885RAB9A 3132/4885MEN1 2428/4885

“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.