SCHEMBL6440938

SCHEMBL6440938

CCc1sc(-c2ccc(N)nc2)nc1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 4/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
APOBEC3G Q9HC16 1/20 0.41
GLA P06280 1/20 0.40
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL31361560 0.77 MAPT (0.62) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL1722976 0.72 CYP2A6 (0.55) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13725640 0.71 RAB9A (0.40) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL15993383 0.68 HSD17B10 (0.42) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4639944 0.67 RAB9A (1.00) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL15417671 0.67 LMNA (0.57) NPC1RAB9AKMT2AKDM4EGFER
SCHEMBL12369750 0.67 RAB9A (0.44) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL18230383 0.67 ALDH1A1 (0.55) NPC1KDM4EMAPTALDH1A1PIK3CD
SCHEMBL30500295 0.66 FEN1 (0.46) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL14840278 0.66 LMNA (0.49) NPC1RAB9AKMT2AKDM4EGFER

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-20050227989-A1 Polycyclic thiazoles as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-13 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-20050227989-A1 Polycyclic thiazoles as potassium ion channel modulators KCNJ2, KCNA3, KCNN3 NPC1 724/4885RAB9A 3481/4885MEN1 1698/4885

“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.