SCHEMBL16375282

SCHEMBL16375282

C=CC(=O)N1CC2(CCC(C(C)C)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.35
BTK Q06187 4/20 0.35
HRH3 Q9Y5N1 3/20 0.34
TEAD1 P28347 2/20 0.33
KRAS P01116 1/20 0.32
TET3 O43151 2/20 0.31
KMT2A Q03164 2/20 0.31
FBXL19 Q6PCT2 2/20 0.31
CXXC5 Q7LFL8 2/20 0.31
TET1 Q8NFU7 2/20 0.31
KDM2B Q8NHM5 2/20 0.31
CXXC4 Q9H2H0 2/20 0.31
KDM2A Q9Y2K7 2/20 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
SCHEMBL26294933 0.91 BTK (0.36) JAK3BTKHRH3TEAD1KRAS
SCHEMBL15474352 0.87 BTK (0.41) JAK3BTKTEAD1KRAS
SCHEMBL21303477 0.83 BTK (0.39) BTKHRH3TET3KMT2AFBXL19
SCHEMBL16074977 0.83 BTK (0.39) BTKHRH3TET3KMT2AFBXL19
SCHEMBL16380183 0.81 JAK3 (0.33) JAK3BTKHRH3KRASTET3
SCHEMBL16375281 0.80 CYP2D6 (0.41) JAK3BTKHRH3KRAS
SCHEMBL25009341 0.80 SMN1; SMN2 (0.41) HRH3
SCHEMBL15984372 0.78 OPRL1 (0.36) HRH3
SCHEMBL409261 0.78 TEAD1 (0.45) JAK3BTKTEAD1TET3KMT2A
SCHEMBL16375283 0.77 KMT2A (0.40) JAK3BTKHRH3TEAD1TET3

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-9458162-B2 Cyclic molecules as bruton's tyrosine kinase inhibitors NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-10-04 US disclosed
US-20150011530-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2015-01-08 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 (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-20150011530-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITORS ABL1, BTK, PRKACA JAK3 105/4885BTK 2/4885HRH3 3109/4885

“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.