SCHEMBL21557592

SCHEMBL21557592

CC1(C)NCc2cc(-c3ccccn3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
DRD2 P14416 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
ABL1 P00519 1/20 0.38
NPY5R Q15761 1/20 0.38
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL16905127 0.77 PDK2 (0.44) PDK2HTR1AHTR7ABL1CTSD
SCHEMBL21557598 0.75 HTR1A (0.47) PDK2HTR1AHTR7CYP1A2KDM4E
SCHEMBL12721336 0.75 PDK2 (0.48) PDK2HTR1AHTR7ABL1CTSD
SCHEMBL16993772 0.74 RARB (0.52) PDK2HTR1AHTR7CTSDBACE1
SCHEMBL15564626 0.74 PDK2 (0.44) PDK2HTR1AHTR7ABL1CTSD
SCHEMBL13291983 0.73 FAAH (0.44) PDK2HTR1AHTR7DRD2GSK3B
SCHEMBL17486231 0.72 PDK2 (0.46) PDK2HTR1AHTR7DRD2CTSD
SCHEMBL21557498 0.72 HDAC1 (0.39) PDK2HTR1AHTR7DRD2GSK3B
SCHEMBL17486222 0.71 PDK2 (0.44) PDK2HTR1AHTR7CTSDBACE1
SCHEMBL20805691 0.71 PDK2 (0.42) PDK2HTR1AHTR7ABL1NPY5R

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-10647710-B2 Thiazole derivative and applications thereof MEDSHINE DISCOVERY INC. (CN) 2020-05-12 US disclosed
EP-3566749-A1 THIAZOLE DERIVATIVE AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2019-11-13 EP 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-10647710-B2 Thiazole derivative and applications thereof TSLP, TK2, TK1 PDK2 42/4885HTR1A 4277/4885HTR7 3285/4885

“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.