SCHEMBL4897013

SCHEMBL4897013

C=C(C)c1ccc(Nc2cccc(-c3cnccn3)n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 5/20 0.39
GRM1 Q13255 1/20 0.33
MAP3K5 Q99683 1/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 3/20 0.33
TP53 P04637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KLF5 Q13887 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCAR3 P49019 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4902945 0.80 GRM5 (0.52) KARS1GRM1MAP3K5LMNAKDM4E
Hydrochloric Acid SCHEMBL27662763 0.80 KARS1 (0.47) KARS1KMT2AKDM4ENPC1RAB9A
SCHEMBL4902648 0.79 SYK (0.39) LMNAKMT2ATP53L3MBTL1KDM4E
SCHEMBL6373788 0.79 SLC2A1 (0.50) GRM1LMNAKMT2ATP53KDM4E
SCHEMBL4900205 0.78 NPC1 (0.40) KARS1LMNAKMT2ATP53L3MBTL1
SCHEMBL4901584 0.78 SLC2A1 (0.48) KARS1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL4901969 0.78 KARS1 (0.40) KARS1LMNAKMT2AKDM4ENPC1
SCHEMBL5261849 0.78 KARS1 (0.40) KARS1MAP3K5LMNAKMT2ATP53
Hydrochloric Acid SCHEMBL4896691 0.77 SLC2A1 (0.47) KARS1KMT2AL3MBTL1KDM4ENPC1
Hydrochloric Acid SCHEMBL4900057 0.77 KARS1 (0.39) KARS1MAP3K5LMNAKMT2ATP53

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 KARS1 512/4885GRM1 484/4885MAP3K5 701/4885

“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.