SCHEMBL4899241

SCHEMBL4899241

COc1ccc(Nc2cccc(-c3nccs3)n2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP1B1 Q16678 2/20 0.48
SYK P43405 11/20 0.48
SRC P12931 4/20 0.48
ZAP70 P43403 4/20 0.48
ADORA2A P29274 1/20 0.44
TRPV4 Q9HBA0 1/20 0.42
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
CDK2 P24941 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5261402 0.88 SYK (0.40) CYP1A1CYP1A2CYP1B1SYKSRC
SCHEMBL27682361 0.86 ADORA2A (0.44) CYP1A1CYP1A2CYP1B1SYKSRC
SCHEMBL4899942 0.84 LYN (0.49) SYKSRCZAP70RAB9AMEN1
SCHEMBL27662794 0.83 CNR2 (0.47) CYP1A1CYP1A2CYP1B1SYKSRC
SCHEMBL27682314 0.81 CYP1A1 (0.46) CYP1A1CYP1A2CYP1B1SYKSRC
SCHEMBL27662885 0.81 SYK (0.47) CYP1A1CYP1A2CYP1B1SYKSRC
SCHEMBL4899792 0.81 CYP1A2 (0.41) CYP1A1CYP1A2CYP1B1SYKSRC
SCHEMBL4899975 0.81 RAB9A (0.40) CYP1A1CYP1A2CYP1B1SYKSRC
SCHEMBL4901358 0.81 SLC2A1 (0.49) CYP1A1CYP1A2CYP1B1SYKSRC
SCHEMBL4896690 0.81 SYK (0.49) CYP1A1CYP1A2CYP1B1SYKSRC

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 2 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

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 CYP1A1 2689/4885CYP1A2 2682/4885CYP1B1 3572/4885

“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.