SCHEMBL4903015

SCHEMBL4903015

Nc1ncccc1-c1cccc(-c2nccs2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
RAB9A P51151 1/20 0.45
ADORA2A P29274 3/20 0.41
ADORA1 P30542 2/20 0.41
MAP4K4 O95819 1/20 0.41
METAP1 P53582 1/20 0.40
SYK P43405 5/20 0.39
CDK2 P24941 2/20 0.39
SRC P12931 1/20 0.39
ZAP70 P43403 1/20 0.39
PDPK1 O15530 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
CYP2A6 P11509 1/20 0.38
CFTR P13569 1/20 0.36
CDK1 P06493 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1B1 Q16678 2/20 0.36

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
SCHEMBL3663189 0.82 PDPK1 (0.47) HSP90AA1RAB9AADORA2AADORA1MAP4K4
SCHEMBL4902877 0.82 RAB9A (0.61) HSP90AA1RAB9AMETAP1SYKCDK2
Bromide SCHEMBL16340075 0.80 PDPK1 (0.46) HSP90AA1RAB9AADORA2AADORA1MAP4K4
SCHEMBL16159636 0.78 RAB9A (0.54) HSP90AA1RAB9AADORA2AADORA1METAP1
SCHEMBL2730329 0.77 RAB9A (0.53) HSP90AA1RAB9AMETAP1SYKCDK2
SCHEMBL16159715 0.76 RAB9A (0.53) HSP90AA1RAB9AADORA2AADORA1METAP1
SCHEMBL29290789 0.73 HSP90AA1 (0.55) HSP90AA1RAB9ASYKCDK2SRC
SCHEMBL16159733 0.73 RAB9A (0.49) HSP90AA1RAB9AMETAP1SYKCDK2
SCHEMBL23888704 0.72 CCR1 (0.52) MAP4K4CYP2A6
SCHEMBL16159711 0.71 RAB9A (0.54) HSP90AA1RAB9AADORA2AADORA1METAP1

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 1 patent. 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

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 HSP90AA1 3995/4885RAB9A 3132/4885ADORA2A 1131/4885

“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.