SCHEMBL20154570

SCHEMBL20154570

Cc1cccc(CN2CCN(SS)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.45
KMT2A Q03164 4/20 0.41
MAPT P10636 1/20 0.41
DRD4 P21917 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PDE2A O00408 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL17996822 0.87 CXCR4 (0.56) CXCR4KMT2AMAPTDRD4SIGMAR1
SCHEMBL13833158 0.87 CXCR4 (0.56) CXCR4KMT2AMAPTDRD4SIGMAR1
SCHEMBL14851189 0.81 HTR3E (0.53) CXCR4KMT2ADRD4SIGMAR1CHRM2
SCHEMBL23126252 0.81 CXCR4 (0.50) CXCR4KMT2AMAPTDRD4SIGMAR1
SCHEMBL4553881 0.80 CXCR4 (0.53) CXCR4KMT2AMAPTDRD4SIGMAR1
SCHEMBL3169838 0.79 CXCR4 (0.51) CXCR4KMT2AMAPTDRD4SIGMAR1
SCHEMBL18705076 0.77 CXCR4 (0.46) CXCR4KMT2AMAPTDRD4SIGMAR1
SCHEMBL17996820 0.76 CXCR4 (0.65) CXCR4KMT2AMAPTDRD4SIGMAR1
SCHEMBL4547964 0.76 CXCR4 (0.77) CXCR4KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL1089502 0.76 CXCR4 (0.65) CXCR4KMT2AMAPTDRD4SIGMAR1

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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF CXCR4 147/4885KMT2A 1171/4885MAPT 1769/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CXCR4 147/4885KMT2A 1171/4885MAPT 1769/4885

“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.