SCHEMBL21234764

SCHEMBL21234764

CC(=O)c1cc2cc3sc(N(C)CCC#N)cc3cc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.41
DYRK1A Q13627 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
KMT2A Q03164 1/20 0.35
STING1 Q86WV6 5/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
GPR35 Q9HC97 1/20 0.32
ACHE P22303 1/20 0.31
GRK6 P43250 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31

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
SCHEMBL21234760 0.83 CLK1 (0.45) CLK1DYRK1ADYRK1BKMT2ASTING1
SCHEMBL21234716 0.81 CLK1 (0.43) CLK1DYRK1ADYRK1BKMT2ASTING1
SCHEMBL21234888 0.78 CLK1 (0.51) CLK1DYRK1ADYRK1BKMT2ASTING1
SCHEMBL21234738 0.76 ATM (0.35) ALDH1A1LMNA
SCHEMBL21234769 0.75 CYP2A6 (0.38)
SCHEMBL21234929 0.69 CYP2A6 (0.33) NPC1RAB9AALDH1A1
SCHEMBL5999605 0.66 DYRK1A (0.59) CLK1DYRK1ADYRK1BRAB9AGPR35
SCHEMBL21160615 0.65 CLK1 (0.43) CLK1DYRK1ADYRK1BALDH1A1LMNA
SCHEMBL20022320 0.65 DYRK1A (0.58) CLK1DYRK1ADYRK1BKMT2ASTING1
SCHEMBL21234934 0.63 CLK1 (0.51) CLK1DYRK1ADYRK1BSTING1LMNA

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
US-11365203-B2 Fluorescent dye and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-06-21 US disclosed
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-08-08 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 (2 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-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B CLK1 3401/4885DYRK1A 4357/4885DYRK1B 4231/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B CLK1 3401/4885DYRK1A 4357/4885DYRK1B 4231/4885

“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.