SCHEMBL4900205

SCHEMBL4900205

Brc1ccc(Nc2cccc(-c3cnccn3)n2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
KARS1 Q15046 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.37
GSK3A P49840 1/20 0.37
CDK9 P50750 1/20 0.37
CDK5 Q00535 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 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
SCHEMBL4901584 0.83 SLC2A1 (0.48) NPC1RAB9AKMT2AMEN1KARS1
SCHEMBL4901969 0.83 KARS1 (0.40) NPC1RAB9AKMT2AMEN1KARS1
Hydrochloric Acid SCHEMBL27662763 0.82 KARS1 (0.47) NPC1RAB9AKMT2AMEN1KARS1
Hydrochloric Acid SCHEMBL4896691 0.82 SLC2A1 (0.47) NPC1RAB9AKMT2AMEN1KARS1
SCHEMBL4899168 0.81 KARS1 (0.43) NPC1RAB9AKARS1LMNASMN1; SMN2
SCHEMBL4902879 0.81 KARS1 (0.52) NPC1RAB9AKARS1ALDH1A1SMN1; SMN2
SCHEMBL5261849 0.80 KARS1 (0.40) NPC1RAB9AKMT2AKARS1RXFP1
Hydrochloric Acid SCHEMBL4900057 0.79 KARS1 (0.39) NPC1RAB9AKMT2AKARS1RXFP1
SCHEMBL4897013 0.78 KARS1 (0.39) NPC1RAB9AKMT2AMEN1KARS1
SCHEMBL3134265 0.78 SLC2A1 (0.42) NPC1RAB9AKMT2AMEN1RXFP1

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 NPC1 1509/4885RAB9A 3132/4885KMT2A 563/4885

“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.