SCHEMBL5312477

SCHEMBL5312477

Clc1ncnc2cc(-c3ccccn3)sc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 8/20 0.49
MAPT P10636 4/20 0.49
GLA P06280 1/20 0.49
IKBKB O14920 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
CCR8 P51685 2/20 0.40
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
PIP4K2A P48426 2/20 0.40

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
SCHEMBL5243357 0.80 KDM4E (0.50) NPC1RAB9AKDM4EMAPTGLA
SCHEMBL2879120 0.80 NPC1 (0.67) NPC1RAB9AKMT2ATDP1MAPT
SCHEMBL3979017 0.76 NPC1 (0.67) NPC1RAB9AKMT2ATDP1IKBKB
SCHEMBL3573598 0.72 NPC1 (0.50) NPC1RAB9AKMT2ATDP1IKBKB
SCHEMBL5313993 0.72 RAB9A (0.50) NPC1RAB9AKMT2ATDP1MAPT
SCHEMBL15504606 0.71 RAB9A (0.68) NPC1RAB9AKMT2ATDP1IKBKB
SCHEMBL17268775 0.71 NPC1 (0.72) NPC1RAB9AKMT2ATDP1IKBKB
SCHEMBL5475238 0.70 NPC1 (0.58) NPC1RAB9AKMT2ATDP1IKBKB
SCHEMBL5641499 0.70 NPC1 (0.58) NPC1RAB9AKMT2ATDP1MAPT
SCHEMBL2873868 0.70 NPC1 (0.48) NPC1RAB9AKMT2ATDP1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007056208-A2 N-ARYLALKYL-THIENOPYRIMIDIN-4-AMINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO disclosed
US-20070099941-A1 N-arylalkyl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 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-20070099941-A1 N-arylalkyl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP3, CASP4 NPC1 2719/4885RAB9A 1912/4885KMT2A 3084/4885

“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.