SCHEMBL5313993

SCHEMBL5313993

Clc1ncnc2cc(-c3ccco3)sc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
IKBKB O14920 1/20 0.39
AXL P30530 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MAPK14 Q16539 1/20 0.38
PIK3R1 P27986 3/20 0.37
PIK3CA P42336 3/20 0.37
MTOR P42345 1/20 0.36
MAP3K8 P41279 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TOP1 P11387 1/20 0.35
FLT1 P17948 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL2879120 0.75 NPC1 (0.67) RAB9ATDP1NPC1KMT2AEGFR
SCHEMBL3979017 0.72 NPC1 (0.67) RAB9ATDP1NPC1KMT2AEGFR
SCHEMBL5312477 0.72 NPC1 (0.51) RAB9ATDP1NPC1KMT2AIKBKB
SCHEMBL14777369 0.72 EGFR (0.59) EGFRERBB2PIK3R1FLT1HTT
Hydrochloric Acid SCHEMBL14776922 0.71 EGFR (0.58) EGFRERBB2PIK3R1FLT1HTT
SCHEMBL19837985 0.70 ALDH1A1 (0.45) RAB9ATDP1NPC1KMT2APIK3R1
SCHEMBL17268775 0.70 NPC1 (0.72) RAB9ATDP1NPC1KMT2AEGFR
SCHEMBL15504606 0.70 RAB9A (0.68) RAB9ATDP1NPC1KMT2AEGFR
SCHEMBL14777863 0.69 EGFR (0.56) RAB9ANPC1KMT2AEGFRERBB2
SCHEMBL5475238 0.69 NPC1 (0.58) RAB9ATDP1NPC1KMT2AEGFR

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 RAB9A 1912/4885TDP1 1308/4885NPC1 2719/4885

“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.