SCHEMBL23080933

SCHEMBL23080933

Cc1ccc(-c2cnc(C3CCCNC3)[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.67
HPGDS O60760 3/20 0.64
SSTR3 P32745 3/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
PRCP P42785 1/20 0.40
PARP1 P09874 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 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
SCHEMBL18845578 0.86 HPGDS (0.83) SCN10AHPGDSSSTR3
SCHEMBL18283950 0.86 HPGDS (0.83) SCN10AHPGDSSSTR3
SCHEMBL16577349 0.86 SSTR3 (0.48) SCN10AHPGDSSSTR3PRCP
Hydrochloric Acid SCHEMBL18815647 0.85 HPGDS (0.81) SCN10AHPGDSSSTR3
Hydrochloric Acid SCHEMBL18815644 0.85 HPGDS (0.81) SCN10AHPGDSSSTR3
SCHEMBL2364211 0.78 HPGDS (1.00) SCN10AHPGDS
SCHEMBL13070930 0.78 SSTR3 (0.43) SCN10AHPGDSSSTR3MAPK13MAPK12
SCHEMBL12302129 0.78 SSTR3 (0.43) SCN10AHPGDSSSTR3MAPK13MAPK12
SCHEMBL18213991 0.77 PRCP (0.43) SCN10AHPGDSSSTR3MAPK13MAPK12
SCHEMBL23080811 0.76 HPGDS (0.47) SCN10AHPGDSSSTR3PRCPPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK SCN10A 3037/4885HPGDS 820/4885SSTR3 4544/4885

“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.