SCHEMBL4900760

SCHEMBL4900760

c1ccc(-c2ccc(Nc3cccc(-c4ncccn4)n3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 2/20 0.40
KDR P35968 2/20 0.40
HIF1A Q16665 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
KLF5 Q13887 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITK Q08881 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4895714 0.89 TP53 (0.47) KARS1KDRHIF1ARAB9ANPC1
SCHEMBL4899168 0.82 KARS1 (0.43) KARS1KDRRAB9ANPC1LMNA
SCHEMBL4902675 0.82 KDR (0.49) KARS1KDRRAB9ANPC1KMT2A
SCHEMBL4904404 0.80 PDPK1 (0.45) KARS1KDRRAB9ANPC1KMT2A
SCHEMBL4894249 0.80 NPC1 (0.48) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL4903020 0.79 SLC2A1 (0.51) KDRRAB9ANPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL4902556 0.79 PDPK1 (0.44) KARS1KDRRAB9ANPC1KMT2A
Biphenyl SCHEMBL27906737 0.79 RAB9A (0.56) KARS1KDRHIF1ARAB9ANPC1
SCHEMBL3138619 0.78 SLC2A1 (0.41) KDRHIF1ARAB9ANPC1KMT2A
SCHEMBL4905155 0.78 GRM5 (0.47) KARS1KDRRAB9ANPC1KMT2A

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 512/4885KDR 3367/4885HIF1A 2724/4885

“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.