SCHEMBL4902648

SCHEMBL4902648

C=C(C)c1ccc(Nc2cccc(-c3nccs3)n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.39
SRC P12931 4/20 0.39
ZAP70 P43403 3/20 0.39
CDK2 P24941 1/20 0.39
RAB9A P51151 2/20 0.36
HSP90AA1 P07900 1/20 0.35
CYP1A1 P04798 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP1B1 Q16678 3/20 0.35
CFTR P13569 1/20 0.35
LYN P07948 1/20 0.35
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL27662885 0.84 SYK (0.47) SYKSRCZAP70CDK2RAB9A
SCHEMBL4899942 0.82 LYN (0.49) SYKSRCZAP70CDK2RAB9A
SCHEMBL27682393 0.82 RAB9A (0.40) SYKSRCZAP70CDK2RAB9A
SCHEMBL6368687 0.81 SPHK2 (0.53) RAB9ACYP1A1CYP1A2CYP1B1CFTR
SCHEMBL4904977 0.81 GRM5 (0.50) SYKSRCZAP70CDK2LYN
SCHEMBL4901358 0.79 SLC2A1 (0.49) SYKSRCZAP70CDK2RAB9A
SCHEMBL4899975 0.79 RAB9A (0.40) SYKSRCZAP70CDK2RAB9A
SCHEMBL4896690 0.79 SYK (0.49) SYKSRCZAP70CDK2RAB9A
SCHEMBL4901965 0.79 SYK (0.41) SYKSRCZAP70CDK2RAB9A
SCHEMBL4899241 0.79 CYP1A1 (0.48) SYKSRCZAP70CDK2RAB9A

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 SYK 4140/4885SRC 4155/4885ZAP70 3314/4885

“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.