SCHEMBL4902677

SCHEMBL4902677

COc1ccc(-c2ncc(Cl)s2)nc1Nc1ccc(N2CCCCC2=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.42
ATM Q13315 1/20 0.39
MET P08581 1/20 0.38
ROS1 P08922 1/20 0.38
ALK Q9UM73 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
P2RX7 Q99572 2/20 0.36
POLB P06746 1/20 0.34
HTT P42858 2/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
LRRK2 Q5S007 1/20 0.34
AKR1C3 P42330 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL5263950 0.97 ATM (0.41) F10ATMMETROS1ALK
Hydrochloric Acid SCHEMBL4902864 0.96 ATM (0.41) F10ATMMETROS1ALK
Hydrochloric Acid SCHEMBL4901700 0.86 PTK2 (0.39)
SCHEMBL4892385 0.86 CDK2 (0.42)
SCHEMBL4899702 0.86 HCRTR1 (0.40) F10ATMMETROS1ALK
SCHEMBL4898906 0.85 CDK2 (0.43) SMN1; SMN2
Hydrochloric Acid SCHEMBL5257872 0.85 HCRTR1 (0.40) F10ATMMETROS1ALK
SCHEMBL4896616 0.83 HCRTR1 (0.41) F10ATMMETROS1ALK
SCHEMBL4903017 0.82 F10 (0.40) F10AKR1C3MAPK8MAPK9MAPK10
SCHEMBL27663025 0.80 POLB (0.39) MAPTPOLBLRRK2

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 F10 1686/4885ATM 4352/4885MET 4824/4885

“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.